| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:56 UTC |
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| Update Date | 2025-03-25 00:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235463 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O6 |
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| Molecular Mass | 268.0947 |
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| SMILES | COc1cc(CC(=O)CCC(O)C(=O)O)ccc1O |
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| InChI Key | KJSBCZWHEOEOCV-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 benzenoidsalkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbocyclic fatty acidscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidefatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidketonesaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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