| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:30 UTC |
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| Update Date | 2025-03-21 18:41:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132960 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C15H20O8 |
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| Molecular Mass | 328.1158 |
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| SMILES | COc1cc(C=CC(=O)OCC(O)C(O)C(O)CO)ccc1O |
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| InChI Key | DTHVBNQKGBOGML-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-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarbonyl compoundsenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic estersaccharideorganic oxideprimary alcoholenoate esteralcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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