| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:19 UTC |
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| Update Date | 2025-03-21 18:03:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046507 |
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| Frequency | 72.0 |
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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(C=CC(=O)OCC(O)CO)ccc1O |
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| InChI Key | QXRAHTFDPBQKIM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamic acids and derivatives |
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| Subclass | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-monoacylglycerolsalkyl aryl ethersanisolescarbonyl compoundsenoate estersfatty acid estersglycerolipidshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-acyl-sn-glycerolalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideprimary alcohol1,2-diolenoate esteralcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisoleglycerolipidcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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