| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:51 UTC |
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| Update Date | 2025-03-21 17:57:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010478 |
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| Frequency | 449.3 |
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| Structure | |
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| Chemical Formula | C17H20O8 |
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| Molecular Mass | 352.1158 |
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| SMILES | COc1cc(C=CC(=O)OC2CCC(O)(C(=O)O)CC2O)ccc1O |
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| InChI Key | MCMGEKVUAVISIQ-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 ethersalpha hydroxy acids and derivativesanisolescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundstertiary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideenoate esteralcoholcyclohexanolcyclitol or derivativeshydroxy acidcyclic alcoholmethoxybenzenehydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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