| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:44 UTC |
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| Update Date | 2025-03-21 18:32:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092573 |
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| Frequency | 30.2 |
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| Structure | |
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| Chemical Formula | C8H7NO4 |
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| Molecular Mass | 181.0375 |
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| SMILES | O=CNc1cc(C(=O)O)ccc1O |
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| InChI Key | OGVQNMUUNMMAMS-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 | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidacylaminobenzoic acid or derivativescarboxamide grouphydroxybenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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