| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:55 UTC |
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| Update Date | 2025-03-21 17:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00017386 |
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| Frequency | 243.0 |
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| Structure | |
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| Chemical Formula | C17H18O9 |
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| Molecular Mass | 366.0951 |
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| SMILES | COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(=O)C2O)ccc1O |
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| InChI Key | KPSXTSSZKCOIID-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 derivativesanisolescarboxylic acidscyclic ketonescyclitols and derivativesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundssecondary alcoholstertiary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethercarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterorganic oxideenoate esteralcoholcyclitol 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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