| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:59 UTC |
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| Update Date | 2025-03-21 18:31:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086096 |
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| Frequency | 33.1 |
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| Structure | |
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| Chemical Formula | C11H13NO3 |
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| Molecular Mass | 207.0895 |
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| SMILES | NC(CC(=O)O)C(=O)Cc1ccccc1 |
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| InChI Key | QDUISBQBOPACGA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino fatty acidsbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino fatty acidbeta amino acid or derivativesgamma-keto acidketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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