Dataset
Ryscinic Acid
Chemical Info
InChI | InChI=1S/C7H6N2O2/c1-9-3-2-6(10)5(4-8)7(9)11/h2-3,10H,1H3 |
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SMILES | CN1C=CC(=C(C1=O)C#N)O |
InChI Key | JOTXKBDAQVLFAX-UHFFFAOYSA-N |
Molecular Formula | C7H6N2O2 |
Exact Mass | 150.043 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82121 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:33.893424 |
MetadataModified | 2024-01-11T22:27:34.050553 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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4790079 | eMolecules |
CHEMBL1406836 | ChEMBL |
ZINC000006494657 | ZINC |
J2.364.961F | Nikkaji |
DTXSID00715783 | EPA CompTox Dashboard |
MCULE-7247762992 | Mcule |
SCHEMBL259368 | SureChEMBL |
54686421 | PubChem |
520-78-5 | ACToR |
The data in this table is sourced from UniChem at EBI. |