| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:34 UTC |
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| Update Date | 2025-03-21 17:58:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00014456 |
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| Frequency | 305.0 |
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| Structure | |
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| Chemical Formula | C8H7NO3 |
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| Molecular Mass | 165.0426 |
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| SMILES | O=CNc1ccc(C(=O)O)cc1 |
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| InChI Key | ZBCGPWAZRMLTKF-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 | anilidesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupacylaminobenzoic acid or derivativescarboxylic acidbenzoyln-arylamidecarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundbenzoic acidorganooxygen compound |
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