| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:41 UTC |
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| Update Date | 2025-03-21 17:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016860 |
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| Frequency | 252.2 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | O=C(O)CC(=O)CCc1cccc(O)c1 |
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| InChI Key | NIQJTOCHMSJAFF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | beta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativebeta-keto acidketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativehydroxy fatty acidbenzenoidorganooxygen compoundmedium-chain keto acid |
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