| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:24 UTC |
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| Update Date | 2025-03-25 00:46:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154452 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O8 |
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| Molecular Mass | 298.0689 |
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| SMILES | COc1cc(CC(=O)C(O)(CC(=O)O)C(=O)O)ccc1O |
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| InChI Key | YQKBVGGUJUILPE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacyloinsalkyl aryl ethersalpha hydroxy acids and derivativesalpha-hydroxy ketonesanisolesbeta-hydroxy ketonesbeta-keto acids and derivativesbranched fatty acidscarbocyclic fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmethoxybenzenesorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonecarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxidehydroxy fatty acidalcoholhydroxy acidmethoxybenzenebranched fatty acidgamma-keto acidaromatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundanisoleketo acidacyloindicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compoundmedium-chain keto acid |
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