| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:06 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181039 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O6 |
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| Molecular Mass | 266.079 |
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| SMILES | O=C(O)CC(O)(CC(=O)O)C(=O)Cc1ccccc1 |
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| InChI Key | XJGFSNFPVAMEFT-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 ketonesbenzene and substituted derivativesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketonearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compoundketo acidacyloindicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidbenzenoidorganooxygen compoundmedium-chain keto acid |
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