| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:30 UTC |
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| Update Date | 2025-03-25 00:50:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181926 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O5 |
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| Molecular Mass | 250.0841 |
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| SMILES | O=C(O)C(O)C(O)C(=O)C=CCc1ccccc1 |
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| InChI Key | PVWPSDDWFNGJLX-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 | 1,2-diolsacryloyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsenonesfatty alcoholsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | beta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha-hydroxy acidmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidefatty alcoholhydroxy fatty acid1,2-diolenonealcoholhydroxy acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinsecondary alcoholhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compoundmedium-chain keto acid |
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