| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:34 UTC |
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| Update Date | 2025-03-21 18:02:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037552 |
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| Frequency | 93.7 |
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| Structure | |
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| Chemical Formula | C8H9NO2 |
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| Molecular Mass | 151.0633 |
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| SMILES | CNc1cccc(C(=O)O)c1 |
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| InChI Key | ZCCNWBPFIBQFQX-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 | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoylsecondary aminecarboxylic acid derivativesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundbenzoic acidamineorganooxygen compound |
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