| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:48 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178078 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7NO3 |
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| Molecular Mass | 177.0426 |
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| SMILES | COC(=O)c1cccc(C#N)c1O |
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| InChI Key | OGUVCDYBQZPTJQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzonitrilesbenzoyl derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssalicylic acid and derivativesvinylogous acids |
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| Substituents | nitrilebenzoylcarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundcarbonitrile1-hydroxy-4-unsubstituted benzenoidbenzonitrilearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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