| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:55 UTC |
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| Update Date | 2025-03-21 18:39:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126837 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C19H22O11 |
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| Molecular Mass | 426.1162 |
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| SMILES | COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)(C(=O)O)C2)cc(OC)c1O |
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| InChI Key | KFCSRGUUIGGQAB-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 | alkyl aryl ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesmethoxyphenolsorganic oxidesphenoxy compoundstertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidmethoxyphenoltricarboxylic acid or derivativesalkyl aryl ethercarboxylic acid derivativedimethoxybenzenealpha,beta-unsaturated carboxylic esterorganic oxideenoate esteralcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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