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Connectivity Search Results...

The InChI (the 'Query InChI') associated with the InChIKey 'YXFVVABEGXRONW' is...

InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
and consists of only a single component.

Connectivity layer ONLY as Query Key... appending '-UHFFFAOYSA-N' to Query Key
Query InChIKey = YXFVVABEGXRONW

'129' records were retrieved...

For clarity, some columns are omitted, but may be toggled on/off...
Full InChI of the src_compound_id Matching InChI of the src_compound_id Matching InChI of the Query

Click here for a detailed Table Legend
The Criteria set in this query were... A:0, B:0, C:0, D:0, E:0, F:0, G:0.
Note that essentially the same query can be carried out using the web-services... https://www.ebi.ac.uk/unichem/rest/key_search/YXFVVABEGXRONW
Search terms and Sorted-by columns are highlighted.
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Column 1. 'Component Mapping Relationship (CMR)'.
The connectivity mapping relationship berween the Query InChI and the InChI assigned to the src_compound_id.
More information on Component Mappings...
Setting the 'C' variable on the Query page allows different Component Mapping relationships to be found. Selecting the option '4' for C, allows searching using all component mappings.
CCode in Data tableComponent Mapping Relationship (CMR)Description
0...matches......matches...The Query InChI matches the InChI assigned to the src_compound_id
1...matches cpts of......matches components of...The Query InChI matches a component of the InChI assigned to this src_compound_id.
2...has cpts matching......has components matching...A component of the Query InChI matches the InChI assigned to the src_compound_id
3...has cpts matching cpts of......has components matching components of...A component of the Query InChI matches a component of the InChI assigned to src_compound_id
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Column 4. 'src_compound_id'.
A hyperlink to the corresponding compound page in the source is given.
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Column 5. 'Asn', Assignment.
A flag to indicate whether the assignment status of this src_compound_id to its assigned InChI ('1' = 'Current', '0' = 'Obsolete'). By default, only 'Current' records will be retrieved, but setting criterion G to '1' in the original query will return 'Obsolete' as well.
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Column 6. 'Label'.
A simple text tag associated with some connectivity layers, and indicates whether a connectivity layer connected with a particular tag is present as a component of the record shown.
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Columns 7 - penultimate Column: Comparing InChIs.
A summary of the differences between the Matching InChI of the Query, and the Matching InChI of the src_compound_id.
More information on InChI layer comparisons...
Definitions of InChIs shown.
The 'Full Query InChI' is the InChI currently assigned to the query src_compound_id, or the corresponding InChIKey (depending upon what sort of data type the user selected for the original query). The 'Full Query InChi', together with any component InChIs that it may contain, are shown at the top of this results page, for reference.
Using the toggle buttons above, three other InChIs may be shown or hidden in the table, as required.
The 'Full InChI of the src_compound_id' is the InChI associated with the src_compound_id shown in column 4. This may consist of either a single or composite InChIs (ie: it may represent a mixture or a salt)
The 'Matching InChI of the src_compound_id' is the InChI derived from the 'Full InChI of the src_comound_id' in column 4, and will only ever be a single component InChI. UniChem has identified a match between this and the 'Matching InChI of the Query'. Note that if the 'Full InChI of the src_compound_id' is NOT a composite InChI, then the Matching and Full InChI of the src_compound_id will be identical.
The 'Matching InChI of the Query' is the InChI derived from the Full Query InChI. and will only ever be a single component InChI. UniChem has identified a match between this and the 'Matching InChI of the src_compound_id'. Note that if the 'Full Query InChI' is NOT a composite InChI, then the Matching InChI of the Query' and the 'Full Query InChI' will be identical.

Columns 7-12. InChI Comparison Summaries
Column headers with single lower-case letters indicate the differences between the 'Matching InChI of the src_compound_id' and the 'Matching InChi of the Query'
1 = difference, 0 = same, null = comparison not valid (see * below).
Only layers that may be present in the Standard InChI, but are not used to create the connectivity hash block of the Standard InChIKey, are shown.
Layer Description
/p ... Protons. The number of protons that must be added to or removed from the formula to give the input composition. (see * below)
/b ... Double bond stereo.
/t ... Tetrahedral stereo.
/m ... Inversion flag for tetrahedral stereo. Note that the enantiomers of a chiral molecule will have the same /t layer but different /m flags; either /m0 or /m1.
/s ... Stereo type. Refers only to stereo that changes upon spatial inversion. Since inversion cannot change the double bond stereo, /s modifies the /t layer only, not the /b layer.
/i ... Isotope. Defines the presence of isotopic atoms, and includes changes in stereochemistry created by their presence.
* 'Comparison not valid'
The 'p' layer in a multicomponent InChI is a single value descriptor applied to the entire multi-component InChI) and cannot be ascribed to the separate InChIs during splitting. For this reason, the 'p' value is ignorred when creating the separate InChIs from a multi-component InChI. Thus, comparisons of the p layers are only valid where none of the compared InChIs have been split. For this reason 'p' comparisons are shown as 'null' for all component mapping searches other than 'matches' (ie:C=0).
En = Enantiomer flag
A Enantiomer flag (a '1' in column 'En') is present when an Enantiomer has been detected. Enantiomers are defined when all layers (apart from the 'p' layer) are identical except for the 'm' layer, and this layer is defined as '0' in one InChI and '1' in the other. The comparison of 'm' layers in this way only occurs between matching InChIs which are single InChIs.
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Last Column: '#' The Assignment Grouping Number.
This number, usually '1' for all records, can normally be ignorred. However, when Connectivity Searches are carried out using a Query src_compound_id which is currently assigned to MULTIPLE InChIs then multiple queries are run for each of these separate current assignments. This complicates the results output greatly. When this occurrs, the user is warned that the results table contains output from multiple queries, and that each of the queries is numbered. To cluster the results from the same queries, the user must first sort the data by this column.
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Apparent Redundancy.
Apparent redundancy in the output can normally be explained by the presence of either a src_compound_ids with multiple assignments, or a retrieved InChI containing more than one matching component InChI. Follow the links on this page for more information.
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CMR. Query InChI... src_id Source src_compound_id Identical Match (1=yes) Asn label p b t m s i En Full InChI of src_compound_id src_compound_id InChIKey Matching src_compound_id InChI Matching Query InChI #
...matches... 1 ChEMBL CHEMBL9113 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 2 DrugBank DB11558 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 3 PDBe MBN 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 4 Guide to Pharmacology 5481 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 6 KEGG Ligand C01455 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 7 ChEBI 17578 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 9 ZINC ZINC000000967534 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 10 eMolecules 483599 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 10 eMolecules 26755765 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1 YXFVVABEGXRONW-BNUYUSEDSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 10 eMolecules 29536884 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1 YXFVVABEGXRONW-OUBTZVSYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 10 eMolecules 483038 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D YXFVVABEGXRONW-JGUCLWPXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 19614E5CE6B77C7C47A40823BF9C6DF9 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D YXFVVABEGXRONW-VMNATFBRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 489D45F3DAC6514C6C624D4F30BC0061 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 9A1026F149995EAA866369B024468728 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D,6D YXFVVABEGXRONW-KCZCTXNHSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System A5B4BAE2203F24478DD9EC4523ACA063 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,5D,6D YXFVVABEGXRONW-KDWOUJHVSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 99743B5365A5CBB5EA4B15FFA2CEEA38 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5T YXFVVABEGXRONW-XHHURNKPSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5T InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 8B1AF97380BFAEE9FD6E4161F67FA119 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D YXFVVABEGXRONW-VIQYUKPQSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 4FC607CF063C06F812F1A6E7659AF0D3 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2T YXFVVABEGXRONW-FUPOQFPWSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2T InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System EDCAB27451227752B2B3ED1298433925 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D YXFVVABEGXRONW-UICOGKGYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 1D741168A9898F3128780C481F1D9DA1 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 YXFVVABEGXRONW-FIBGUPNXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System D543DDD08A965A4D4A2ECD7A9B0BFB39 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D,2D,3D,4D,5D,6D YXFVVABEGXRONW-MZWXYZOWSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 7BC0255A68A332EC293B4D723C284F32 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3T YXFVVABEGXRONW-WJULDGBESA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3T InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System D9F2D166F375BCF086233D242A3FEA16 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D YXFVVABEGXRONW-JGUCLWPXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 325DDF229BDC7818C3CC45615B2D0D51 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D YXFVVABEGXRONW-WFVSFCRTSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System C6E148180B4C59AD5E0E97504FC10E7D 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D YXFVVABEGXRONW-MICDWDOJSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 4BE980FA9D38673725224317BC932F36 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,5D,6D YXFVVABEGXRONW-UJESMPABSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System ED97A9443F9FB38629A7258CADFB86AF 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i7+2 YXFVVABEGXRONW-WGGUOBTBSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i7+2 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 11 IBM Patent System 9894A32B0C714BE90035E65AE4EA7CF6 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2,2D,3D,4D,5D,6D YXFVVABEGXRONW-QMUWOJKRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 14 FDA SRS 3FPU23BG52 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL2722769 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D YXFVVABEGXRONW-VMNATFBRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL1 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL6149980 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D YXFVVABEGXRONW-AAYPNNLASA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL6570552 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,3D,5D YXFVVABEGXRONW-CUCQBNOMSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,3D,5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL1331590 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D YXFVVABEGXRONW-VIQYUKPQSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL1636298 0 1 1 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/p+1 YXFVVABEGXRONW-UHFFFAOYSA-O InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/p+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL18488793 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2T YXFVVABEGXRONW-FUPOQFPWSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2T InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL18210524 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D,4D YXFVVABEGXRONW-NMQOAUCRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D,4D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL592883 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D YXFVVABEGXRONW-UICOGKGYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL5374477 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 YXFVVABEGXRONW-FIBGUPNXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL1172029 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D,2D,3D,4D,5D,6D YXFVVABEGXRONW-MZWXYZOWSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL13405627 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3T YXFVVABEGXRONW-WJULDGBESA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3T InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL112707 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D YXFVVABEGXRONW-JGUCLWPXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 15 SureChEMBL SCHEMBL3837745 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D YXFVVABEGXRONW-MICDWDOJSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 18 Human Metabolome Database HMDB0034168 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 21 PubChem: Thomson Pharma 16019562 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D YXFVVABEGXRONW-VMNATFBRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 21 PubChem: Thomson Pharma 16031826 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1-1 YXFVVABEGXRONW-BJUDXGSMSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1-1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 21 PubChem: Thomson Pharma 15194222 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 21 PubChem: Thomson Pharma 16931302 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D YXFVVABEGXRONW-VIQYUKPQSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 21 PubChem: Thomson Pharma 15636241 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D YXFVVABEGXRONW-NRUYWUNFSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 21 PubChem: Thomson Pharma 15994917 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 YXFVVABEGXRONW-FIBGUPNXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 21 PubChem: Thomson Pharma 16190074 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+2,3+2,4+2,5+2,6+2,7+2 YXFVVABEGXRONW-POOLIRAVSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+2,3+2,4+2,5+2,6+2,7+2 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 21 PubChem: Thomson Pharma 16043952 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D YXFVVABEGXRONW-JGUCLWPXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 21 PubChem: Thomson Pharma 16324488 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D YXFVVABEGXRONW-RLTMCGQMSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 21 PubChem: Thomson Pharma 15946234 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D YXFVVABEGXRONW-MICDWDOJSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 10964415 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D YXFVVABEGXRONW-VMNATFBRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205489 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i7+1 YXFVVABEGXRONW-CDYZYAPPSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i7+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 450705 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1-1 YXFVVABEGXRONW-BJUDXGSMSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1-1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 1140 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205500 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1T YXFVVABEGXRONW-CNRUNOGKSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1T InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205491 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D,6D YXFVVABEGXRONW-KCZCTXNHSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 91293659 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,5D,6D YXFVVABEGXRONW-KDWOUJHVSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205503 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5T YXFVVABEGXRONW-XHHURNKPSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5T InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 129677927 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D,5D YXFVVABEGXRONW-XBTCESIDSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D,5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 11815823 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D YXFVVABEGXRONW-VIQYUKPQSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 59883670 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2T YXFVVABEGXRONW-FUPOQFPWSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2T InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 129664803 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,5D YXFVVABEGXRONW-UHQGOLLYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205510 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+1 YXFVVABEGXRONW-VQEHIDDOSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205508 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2 YXFVVABEGXRONW-DICFDUPASA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 129693851 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D YXFVVABEGXRONW-QFFDRWTDSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205488 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D,4D YXFVVABEGXRONW-NMQOAUCRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D,4D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205494 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D YXFVVABEGXRONW-UICOGKGYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 10606700 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D YXFVVABEGXRONW-NRUYWUNFSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 101983 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 YXFVVABEGXRONW-FIBGUPNXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 54532065 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D,2D,3D,4D,5D,6D YXFVVABEGXRONW-MZWXYZOWSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 90730441 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2,2D,3D,5D YXFVVABEGXRONW-XCYXRIJPSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2,2D,3D,5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 101177569 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D YXFVVABEGXRONW-MZCSYVLQSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 71310327 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1 YXFVVABEGXRONW-BNUYUSEDSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205509 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1 YXFVVABEGXRONW-OUBTZVSYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 11116000 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+2,3+2,4+2,5+2,6+2,7+2 YXFVVABEGXRONW-POOLIRAVSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+2,3+2,4+2,5+2,6+2,7+2 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 71309102 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1 YXFVVABEGXRONW-WBJZHHNVSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 71308940 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+0,2+0,3+0,4+0,5+0,6+0,7+0 YXFVVABEGXRONW-QZNDBYKSSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+0,2+0,3+0,4+0,5+0,6+0,7+0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 58638535 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3T YXFVVABEGXRONW-WJULDGBESA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3T InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 123562567 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,5D YXFVVABEGXRONW-UGSMBFFPSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 74861 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D YXFVVABEGXRONW-JGUCLWPXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 101676708 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,3D,4D,5D,6D YXFVVABEGXRONW-HRDWIZOWSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 11240437 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D YXFVVABEGXRONW-RLTMCGQMSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205495 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D YXFVVABEGXRONW-WFVSFCRTSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 10898644 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D YXFVVABEGXRONW-MICDWDOJSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 56615560 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,5D,6D YXFVVABEGXRONW-UJESMPABSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205502 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i7+2 YXFVVABEGXRONW-WGGUOBTBSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i7+2 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 137454 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2,2D,3D,4D,5D,6D YXFVVABEGXRONW-QMUWOJKRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 22 PubChem 12205490 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+2 YXFVVABEGXRONW-NJFSPNSNSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+2 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 23 Mcule MCULE-4817136027 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 24 NMRShiftDB 10008613 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 26 ACToR 108-88-3 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 26 ACToR 50643-04-4 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 26 ACToR 3101-08-4 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 26 ACToR 1124-18-1 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 YXFVVABEGXRONW-FIBGUPNXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 26 ACToR 2037-26-5 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D YXFVVABEGXRONW-JGUCLWPXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 26 ACToR 2154-55-4 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2,2D,3D,4D,5D,6D YXFVVABEGXRONW-QMUWOJKRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J623.617K 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D YXFVVABEGXRONW-VMNATFBRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J3.186.236A 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1-1 YXFVVABEGXRONW-BJUDXGSMSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1-1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J2.245.009C 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J2.868A 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J336.913G 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D YXFVVABEGXRONW-VIQYUKPQSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J336.915C 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2 YXFVVABEGXRONW-DICFDUPASA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J1.012.653C 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D,4D YXFVVABEGXRONW-NMQOAUCRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D,4D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J1.012.659B 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D YXFVVABEGXRONW-UICOGKGYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i5D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J336.914E 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 YXFVVABEGXRONW-FIBGUPNXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J1.516.641J 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D,2D,3D,4D,5D,6D YXFVVABEGXRONW-MZWXYZOWSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J1.732.454C 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D YXFVVABEGXRONW-MZCSYVLQSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J824.057D 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1 YXFVVABEGXRONW-OUBTZVSYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J235.966I 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D YXFVVABEGXRONW-JGUCLWPXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J624.188C 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,3D,4D,5D,6D YXFVVABEGXRONW-HRDWIZOWSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J2.103.193C 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D YXFVVABEGXRONW-WFVSFCRTSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i3D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J336.916A 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D YXFVVABEGXRONW-MICDWDOJSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 29 Nikkaji J1.516.642H 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2,2D,3D,4D,5D,6D YXFVVABEGXRONW-QMUWOJKRSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D2,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 31 BindingDB 50008558 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 32 EPA CompTox Dashboard DTXSID7021360 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 32 EPA CompTox Dashboard DTXSID80473399 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D YXFVVABEGXRONW-VIQYUKPQSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 32 EPA CompTox Dashboard DTXSID60480405 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+1 YXFVVABEGXRONW-VQEHIDDOSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 32 EPA CompTox Dashboard DTXSID10746144 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1 YXFVVABEGXRONW-BNUYUSEDSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1,2+1,3+1,4+1,5+1,6+1,7+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 32 EPA CompTox Dashboard DTXSID00480404 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1 YXFVVABEGXRONW-OUBTZVSYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 32 EPA CompTox Dashboard DTXSID10745758 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1 YXFVVABEGXRONW-WBJZHHNVSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 32 EPA CompTox Dashboard DTXSID9074301 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D YXFVVABEGXRONW-JGUCLWPXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 37 Brenda 1335 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 37 Brenda 49454 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 37 Brenda 59486 0 1 0 0 0 0 0 1 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 YXFVVABEGXRONW-FIBGUPNXSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1
...matches... 38 Rhea 17578 1 1 0 0 0 0 0 0 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 YXFVVABEGXRONW-UHFFFAOYSA-N InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 1




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