| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:19 UTC |
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| Update Date | 2025-03-21 18:06:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060577 |
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| Frequency | 51.6 |
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| Structure | |
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| Chemical Formula | C11H15NO3 |
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| Molecular Mass | 209.1052 |
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| SMILES | NC(CC(=O)O)C(O)Cc1ccccc1 |
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| InChI Key | JOCARFLDNRODJL-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 acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidalcoholamino fatty acidbeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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