| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:02 UTC |
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| Update Date | 2025-03-21 18:04:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052861 |
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| Frequency | 61.4 |
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| Structure | |
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| Chemical Formula | C9H10N2O3 |
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| Molecular Mass | 194.0691 |
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| SMILES | CC(=O)Nc1cc(C(=O)O)ccc1N |
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| InChI Key | YEWQHZNJRLZVNV-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 | acetamidesacetanilidesamino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylamineamino acid or derivativesamino acidbenzoyln-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidacetamideacylaminobenzoic acid or derivativesacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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