| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:00 UTC |
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| Update Date | 2025-03-21 17:57:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008444 |
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| Frequency | 580.7 |
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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)Nc1cccc(C(=O)O)c1O |
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| InChI Key | QTFUPIICBHXPRL-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-carboxy-2-haloaromatic compounds1-hydroxy-4-unsubstituted benzenoidsacetamidesacetanilidesbenzoic acidsbenzoyl derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssalicylic acidssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylaminebenzoyln-arylamidesalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamideacylaminobenzoic acid or derivativesacetanilide1-hydroxy-4-unsubstituted benzenoidcarboxamide grouphydroxybenzoic acidaromatic homomonocyclic compoundanilidesecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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