| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:00 UTC |
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| Update Date | 2025-03-25 00:50:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180794 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO3 |
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| Molecular Mass | 181.0739 |
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| SMILES | Cc1c(C(=O)O)cc(N)c(O)c1C |
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| InChI Key | FRFRPLVQVMDDTD-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 | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsamino acidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsortho cresolsphenolsprimary amineso-xylenes |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativexyleneorganic oxideo-cresolorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidm-cresolhydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativeso-xyleneorganic oxygen compoundphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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