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Connectivity Search Results...

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

InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3
and consists of only a single component.

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

'63' 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. 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 CHEMBL1086445 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 1 ChEMBL CHEMBL3561468 1 1 0 0 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 MLUCVPSAIODCQM-UHFFFAOYSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 2 DrugBank DB04381 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 3 PDBe CRD 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 4 Guide to Pharmacology 6288 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 6 KEGG Ligand C19377 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 7 ChEBI 41607 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 9 ZINC ZINC000001686876 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 9 ZINC ZINC000004726476 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- MLUCVPSAIODCQM-IHWYPQMZSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 10 eMolecules 493025 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 11 IBM Patent System 7FC3801F23E33C6FC0D15C425DFFA2AE 0 1 0 0 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i1D3 MLUCVPSAIODCQM-FIBGUPNXSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i1D3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 11 IBM Patent System 796EEAAC7BE3E534DA9C6AC75C175245 0 1 0 1 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i4D MLUCVPSAIODCQM-OTIBPHJFSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i4D InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 11 IBM Patent System CA0FAC479A9A16391C00C9E217F9D762 0 1 0 0 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i2D,3D MLUCVPSAIODCQM-PBNXXWCMSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i2D,3D InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 11 IBM Patent System FEFF2168ED5D435A85EDE8468A1C9A15 0 1 0 0 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i4D MLUCVPSAIODCQM-QYKNYGDISA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i4D InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 11 IBM Patent System 2C0818A80D3837A2DDB6536B32DE4C9C 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 11 IBM Patent System 4145761A4950CB5940C321AAD2D4F397 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- MLUCVPSAIODCQM-IHWYPQMZSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 14 FDA SRS 6PUW625907 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 14 FDA SRS RB9WCA91QT 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- MLUCVPSAIODCQM-IHWYPQMZSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 15 SureChEMBL SCHEMBL13992162 0 1 0 1 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i1D3 MLUCVPSAIODCQM-SMQGVBCRSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i1D3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 15 SureChEMBL SCHEMBL13992164 0 1 0 1 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i2D,3D MLUCVPSAIODCQM-XNHULNRKSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i2D,3D InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 15 SureChEMBL SCHEMBL13992165 0 1 0 1 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i4D MLUCVPSAIODCQM-OTIBPHJFSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i4D InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 15 SureChEMBL SCHEMBL11025507 0 1 1 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/p+1/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-O InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/p+1/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 15 SureChEMBL SCHEMBL38449 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 15 SureChEMBL SCHEMBL3482634 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- MLUCVPSAIODCQM-IHWYPQMZSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 15 SureChEMBL SCHEMBL38450 1 1 0 0 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 MLUCVPSAIODCQM-UHFFFAOYSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 18 Human Metabolome Database HMDB0034233 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- MLUCVPSAIODCQM-IHWYPQMZSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 21 PubChem: Thomson Pharma 15119607 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 21 PubChem: Thomson Pharma 16287585 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- MLUCVPSAIODCQM-IHWYPQMZSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 22 PubChem 59868996 0 1 0 1 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i1D3 MLUCVPSAIODCQM-SMQGVBCRSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i1D3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 22 PubChem 59868994 0 1 0 1 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i2D,3D MLUCVPSAIODCQM-XNHULNRKSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i2D,3D InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 22 PubChem 91157664 0 1 0 0 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i1D3 MLUCVPSAIODCQM-FIBGUPNXSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i1D3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 22 PubChem 12215571 0 1 0 1 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i4D MLUCVPSAIODCQM-OTIBPHJFSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i4D InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 22 PubChem 91424231 0 1 0 0 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i2D,3D MLUCVPSAIODCQM-PBNXXWCMSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i2D,3D InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 22 PubChem 91613880 0 1 0 0 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i4D MLUCVPSAIODCQM-QYKNYGDISA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/i4D InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 22 PubChem 117065508 0 1 0 1 0 0 0 1 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i1D3,2D,3D,4D MLUCVPSAIODCQM-DLUXKFMFSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+/i1D3,2D,3D,4D InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 22 PubChem 447466 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 22 PubChem 643950 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- MLUCVPSAIODCQM-IHWYPQMZSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 22 PubChem 20138 1 1 0 0 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 MLUCVPSAIODCQM-UHFFFAOYSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 23 Mcule MCULE-9924705308 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 23 Mcule MCULE-2497362981 1 1 0 0 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 MLUCVPSAIODCQM-UHFFFAOYSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 24 NMRShiftDB 10015860 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 24 NMRShiftDB 20042189 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- MLUCVPSAIODCQM-IHWYPQMZSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 26 ACToR 15798-64-8 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 26 ACToR 123-73-9 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 26 ACToR 4170-30-3 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 28 MolPort MolPort-001-783-817 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 28 MolPort MolPort-005-273-805 1 1 0 0 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 MLUCVPSAIODCQM-UHFFFAOYSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 29 Nikkaji J118.444J 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 29 Nikkaji J9.294K 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 29 Nikkaji J102.124I 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- MLUCVPSAIODCQM-IHWYPQMZSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2- InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 31 BindingDB 50318489 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 32 EPA CompTox Dashboard DTXSID6020351 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 32 EPA CompTox Dashboard DTXSID8024864 1 1 0 0 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 MLUCVPSAIODCQM-UHFFFAOYSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 37 Brenda 39165 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 37 Brenda 48879 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 37 Brenda 55498 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 37 Brenda 38719 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 37 Brenda 49458 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 37 Brenda 104518 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 37 Brenda 167393 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 37 Brenda 1529 0 1 0 1 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ MLUCVPSAIODCQM-NSCUHMNNSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 37 Brenda 90988 1 1 0 0 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 MLUCVPSAIODCQM-UHFFFAOYSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1
...matches... 37 Brenda 90989 1 1 0 0 0 0 0 0 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 MLUCVPSAIODCQM-UHFFFAOYSA-N InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3 1




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