| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:17 UTC |
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| Update Date | 2025-03-25 00:48:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167707 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO3 |
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| Molecular Mass | 205.0739 |
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| SMILES | CC(C)c1c(C#N)ccc(C(=O)O)c1O |
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| InChI Key | AUZZVSCNZCAYKI-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzonitrilesbenzoyl derivativescumeneshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenylpropanesvinylogous acids |
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| Substituents | nitrilecarboxylic acidbenzoylsalicylic acidcarboxylic acid derivativephenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compoundcumene1-carboxy-2-haloaromatic compoundbenzoic acidcarbonitrile1-hydroxy-4-unsubstituted benzenoidbenzonitrilearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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