| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:44 UTC |
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| Update Date | 2025-03-21 18:38:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121729 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C10H13NO3 |
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| Molecular Mass | 195.0895 |
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| SMILES | CNCC(O)c1ccccc1C(=O)O |
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| InChI Key | WXHDEVIOSGBFMQ-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 | 1-carboxy-2-haloaromatic compoundsamino acidsaromatic alcoholsbenzoyl derivativesdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholcarboxylic acidamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidalcoholsecondary aliphatic aminesecondary aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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