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Connectivity Search Results...

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

InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)
and consists of only a single component.

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

'49' 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/BXRLWGXPSRYJDZ
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... 4 Guide to Pharmacology 8859 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 6 KEGG Ligand C02512 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 7 ChEBI 132546 1 1 0 0 0 0 0 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) BXRLWGXPSRYJDZ-UHFFFAOYSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 7 ChEBI 57954 0 1 1 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/p-1/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-M InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/p-1/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 7 ChEBI 77860 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 7 ChEBI 16934 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 9 ZINC ZINC000001607293 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 BXRLWGXPSRYJDZ-GSVOUGTGSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 9 ZINC ZINC000000901380 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 10 eMolecules 29549662 1 1 0 0 0 0 0 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) BXRLWGXPSRYJDZ-UHFFFAOYSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 10 eMolecules 536628 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 11 IBM Patent System 378A899EC43A8032ED7E3129E19C70BA 1 1 0 0 0 0 0 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) BXRLWGXPSRYJDZ-UHFFFAOYSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 11 IBM Patent System 19AEE0C319E83D10A0D842A5E684069F 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 BXRLWGXPSRYJDZ-GSVOUGTGSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 11 IBM Patent System AED260D384E785D35AEE17E53BD4CAF1 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 15 SureChEMBL SCHEMBL149791 1 1 0 0 0 0 0 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) BXRLWGXPSRYJDZ-UHFFFAOYSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 15 SureChEMBL SCHEMBL7383035 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 BXRLWGXPSRYJDZ-GSVOUGTGSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 15 SureChEMBL SCHEMBL149790 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 15 SureChEMBL SCHEMBL17708334 0 1 0 0 1 1 1 1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1/i2+1 BXRLWGXPSRYJDZ-QQPKUSCQSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1/i2+1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 18 Human Metabolome Database HMDB0060245 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 21 PubChem: Thomson Pharma 14747510 1 1 0 0 0 0 0 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) BXRLWGXPSRYJDZ-UHFFFAOYSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 21 PubChem: Thomson Pharma 15785684 0 1 0 0 1 1 1 1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1/i2-1 BXRLWGXPSRYJDZ-HWMMAVKLSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1/i2-1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 21 PubChem: Thomson Pharma 14915984 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 22 PubChem 13538 1 1 0 0 0 0 0 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) BXRLWGXPSRYJDZ-UHFFFAOYSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 22 PubChem 10749155 0 1 0 0 1 1 1 1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1/i2-1 BXRLWGXPSRYJDZ-HWMMAVKLSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1/i2-1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 22 PubChem 5316226 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 BXRLWGXPSRYJDZ-GSVOUGTGSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 22 PubChem 25203495 0 1 1 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/p-1/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-M InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/p-1/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 22 PubChem 6971253 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 22 PubChem 439742 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 22 PubChem 121300739 0 1 0 0 1 1 1 1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1/i2+1 BXRLWGXPSRYJDZ-QQPKUSCQSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1/i2+1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 26 ACToR 923-01-3 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 BXRLWGXPSRYJDZ-GSVOUGTGSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 26 ACToR 6232-19-5 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 27 Recon HC00955 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 28 MolPort MolPort-003-940-876 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 29 Nikkaji J80.010D 1 1 0 0 0 0 0 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) BXRLWGXPSRYJDZ-UHFFFAOYSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 29 Nikkaji J52.708D 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 BXRLWGXPSRYJDZ-GSVOUGTGSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 29 Nikkaji J51.820D 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 32 EPA CompTox Dashboard DTXSID20415697 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 BXRLWGXPSRYJDZ-GSVOUGTGSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 36 Metabolights MTBLC57954 0 1 1 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/p-1/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-M InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/p-1/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 36 Metabolights MTBLC77860 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 36 Metabolights MTBLC16934 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 37 Brenda 96209 1 1 0 0 0 0 0 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) BXRLWGXPSRYJDZ-UHFFFAOYSA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 37 Brenda 3987 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 37 Brenda 15810 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 37 Brenda 12454 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 37 Brenda 10502 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 37 Brenda 9132 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 37 Brenda 141245 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 37 Brenda 4205 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 37 Brenda 5943 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1
...matches... 37 Brenda 19972 0 1 0 0 1 1 1 0 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 BXRLWGXPSRYJDZ-VKHMYHEASA-N InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8) 1




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