| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:42 UTC |
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| Update Date | 2025-03-21 18:04:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052120 |
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| Frequency | 62.5 |
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| Structure | |
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| Chemical Formula | C13H17NO5 |
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| Molecular Mass | 267.1107 |
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| SMILES | COc1cc(CCC(=O)CC(N)C(=O)O)ccc1O |
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| InChI Key | KWSCUZVPDNHLMQ-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalpha amino acidsamino fatty acidsanisolescarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidamino fatty acidmethoxybenzenegamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisoleketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compoundmedium-chain keto acid |
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