| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:40 UTC |
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| Update Date | 2025-03-21 17:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005376 |
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| Frequency | 998.8 |
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| Structure | |
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| Chemical Formula | C9H9NO4 |
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| Molecular Mass | 195.0532 |
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| SMILES | CC(=O)Nc1cc(C(=O)O)ccc1O |
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| InChI Key | BXBFVCYLJXGOGI-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 benzenoidsacetamidesacetanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylaminebenzoyl1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidacetamideacylaminobenzoic acid or derivativesacetanilidecarboxamide grouphydroxybenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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