| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:01 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162472 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O6 |
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| Molecular Mass | 280.0947 |
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| SMILES | O=C(O)C=CC(=O)CC(O)CCc1ccc(O)c(O)c1 |
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| InChI Key | KKEGOLAPYLLWDP-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 benzenoidsacryloyl compoundsbenzene and substituted derivativesbeta-hydroxy ketonescarboxylic acidsenoneshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsunsaturated fatty acidsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | beta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketone1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneunsaturated fatty acidorganic oxidemedium-chain fatty acidhydroxy fatty acidenonealcohol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidacryloyl-grouporganooxygen compound |
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