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Connectivity Search Results.

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

InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
and consists of only a single component.

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

'83' 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/UCMIRNVEIXFBKS
Search terms and Sorted-by columns are highlighted.
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Column 1. 'Component Mapping Relationships (CMR)'.
The component mapping relationship between 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 Mappings to be used. Selecting the option '4' for C, allows all component mappings to be used.
CCode in Data tableComponent Mapping RelationshipDescription
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 mappings 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 Image 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 CHEMBL297569
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 2 DrugBank DB03107
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 3 PDBe BAL
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 4 Guide to Pharmacology 2365
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 6 KEGG Ligand C00099
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 7 ChEBI 63070
1 1 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 UCMIRNVEIXFBKS-UHFFFAOYSA-M InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 7 ChEBI 16958
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 7 ChEBI 57966
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 9 ZINC ZINC000004658555
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 10 eMolecules 26753033
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1+1,2+1,3+1,4+1 UCMIRNVEIXFBKS-JCDJMFQYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1+1,2+1,3+1,4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 10 eMolecules 476066
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 11 IBM Patent System 4C226020A79888E5931DCB6C51DFA99F
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+2 UCMIRNVEIXFBKS-HQMMCQRPSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 11 IBM Patent System E621DD9E16DF2A6B3CF717FDB97A87E0
1 1 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p+1 UCMIRNVEIXFBKS-UHFFFAOYSA-O InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 11 IBM Patent System 1DCA826EEF54BF94BCDC245AA00642F6
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1 UCMIRNVEIXFBKS-LBPDFUHNSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 11 IBM Patent System 7B3F2337B40FDB254D8218AC069FE576
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i/hD UCMIRNVEIXFBKS-DYCDLGHISA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i/hD InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 11 IBM Patent System 4BB88A3B75577C558846164562564185
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 14 FDA SRS 11P2JDE17B
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 15 SureChEMBL SCHEMBL18281085
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i4+1 UCMIRNVEIXFBKS-AZXPZELESA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 15 SureChEMBL SCHEMBL15312551
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D2/hD2 UCMIRNVEIXFBKS-HEIOUWIJSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D2/hD2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 15 SureChEMBL SCHEMBL18281080
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1,4+1 UCMIRNVEIXFBKS-CQDYUVAPSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1,4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 15 SureChEMBL SCHEMBL1704528
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2 UCMIRNVEIXFBKS-LNLMKGTHSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 15 SureChEMBL SCHEMBL21500
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 15 SureChEMBL SCHEMBL12038280
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D2 UCMIRNVEIXFBKS-CBTSVUPCSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 15 SureChEMBL SCHEMBL20411566
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+1,4+1 UCMIRNVEIXFBKS-NDLBAUGKSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+1,4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 18 Human Metabolome Database HMDB0000056
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 21 PubChem: Thomson Pharma 16459522
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1,4+1 UCMIRNVEIXFBKS-CQDYUVAPSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1,4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 21 PubChem: Thomson Pharma 15885998
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2 UCMIRNVEIXFBKS-LNLMKGTHSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 21 PubChem: Thomson Pharma 15339064
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 21 PubChem: Thomson Pharma 16946270
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D/t2-/m0/s1 UCMIRNVEIXFBKS-SKEHDUAGSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D/t2-/m0/s1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 22288102
1 1 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 UCMIRNVEIXFBKS-UHFFFAOYSA-M InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 11829360
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D UCMIRNVEIXFBKS-VMNATFBRSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 71309180
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i4+1 UCMIRNVEIXFBKS-AZXPZELESA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 71308486
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+2 UCMIRNVEIXFBKS-HQMMCQRPSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 5105983
1 1 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p+1 UCMIRNVEIXFBKS-UHFFFAOYSA-O InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 12201474
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+2 UCMIRNVEIXFBKS-YZRHJBSPSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 12201473
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1 UCMIRNVEIXFBKS-LBPDFUHNSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 132452060
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D2/hD2 UCMIRNVEIXFBKS-HEIOUWIJSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D2/hD2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 55291395
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2-1 UCMIRNVEIXFBKS-JVVVGQRLSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2-1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 11366951
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1,4+1 UCMIRNVEIXFBKS-CQDYUVAPSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i3+1,4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 57107478
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i/hD UCMIRNVEIXFBKS-DYCDLGHISA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i/hD InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 16213480
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1+1,2+1,3+1,4+1 UCMIRNVEIXFBKS-JCDJMFQYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1+1,2+1,3+1,4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 131708704
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+1,3+1,4+1 UCMIRNVEIXFBKS-VWNJCJTFSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+1,3+1,4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 10844336
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2 UCMIRNVEIXFBKS-LNLMKGTHSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 4755801
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 239
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 12201476
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D2 UCMIRNVEIXFBKS-CBTSVUPCSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 71309356
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1+1,3+1,4+1 UCMIRNVEIXFBKS-QZJDPFNNSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1+1,3+1,4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 71309357
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+1,4+1 UCMIRNVEIXFBKS-NDLBAUGKSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+1,4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 90474450
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2T2 UCMIRNVEIXFBKS-BMCFWTDKSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2T2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 22 PubChem 25240263
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D/t2-/m0/s1 UCMIRNVEIXFBKS-SKEHDUAGSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D/t2-/m0/s1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 23 Mcule MCULE-1344289084
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 24 NMRShiftDB 10016956
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 26 ACToR 107-95-9
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 26 ACToR 28854-76-4
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 27 Recon ala_B
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 28 MolPort MolPort-046-692-654
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2 UCMIRNVEIXFBKS-LNLMKGTHSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 28 MolPort MolPort-001-641-009
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 29 Nikkaji J1.229.702E
1 1 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 UCMIRNVEIXFBKS-UHFFFAOYSA-M InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 29 Nikkaji J1.346.107D
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+2 UCMIRNVEIXFBKS-HQMMCQRPSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 29 Nikkaji J437.061I
1 1 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p+1 UCMIRNVEIXFBKS-UHFFFAOYSA-O InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 29 Nikkaji J2.816.539K
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2 UCMIRNVEIXFBKS-LNLMKGTHSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1D2,2D2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 29 Nikkaji J4.070C
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 29 Nikkaji J1.599.700A
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D/t2-/m1/s1 UCMIRNVEIXFBKS-DVWNSKMASA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D/t2-/m1/s1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 29 Nikkaji J2.198.304G
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D/t2-/m0/s1 UCMIRNVEIXFBKS-SKEHDUAGSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2D/t2-/m0/s1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 31 BindingDB 50000102
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 32 EPA CompTox Dashboard DTXSID00745525
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+2 UCMIRNVEIXFBKS-HQMMCQRPSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+2 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 32 EPA CompTox Dashboard DTXSID20583981
1 0 0 0 0 0 1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1+1,2+1,3+1,4+1 UCMIRNVEIXFBKS-JCDJMFQYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i1+1,2+1,3+1,4+1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 32 EPA CompTox Dashboard DTXSID0030823
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 36 Metabolights MTBLC63070
1 1 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 UCMIRNVEIXFBKS-UHFFFAOYSA-M InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 36 Metabolights MTBLC16958
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 36 Metabolights MTBLC57966
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 37 Brenda 10499
1 1 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 UCMIRNVEIXFBKS-UHFFFAOYSA-M InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 37 Brenda 43293
1 1 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 UCMIRNVEIXFBKS-UHFFFAOYSA-M InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 37 Brenda 1199
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 37 Brenda 207597
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 37 Brenda 203114
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 37 Brenda 16830
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 37 Brenda 494
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 37 Brenda 92730
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 37 Brenda 182618
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 37 Brenda 145296
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 38 Rhea 57966
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1
...matches... 39 ChemicalBook CB0711205
1 0 0 0 0 0 0 InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) UCMIRNVEIXFBKS-UHFFFAOYSA-N InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) 1




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