| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:38 UTC |
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| Update Date | 2025-03-25 01:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250856 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O7 |
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| Molecular Mass | 282.074 |
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| SMILES | O=C(O)CC(O)(C(=O)O)C(=O)C(O)Cc1ccccc1 |
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| InChI Key | DEHDRTFMKPLGIM-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 | acyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbenzene and substituted derivativesbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonosaccharidesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | beta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidehydroxy fatty acidalcoholhydroxy acidbranched fatty acidgamma-keto acidaromatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundketo acidacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundmedium-chain keto acid |
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