| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:41 UTC |
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| Update Date | 2025-03-21 18:01:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030582 |
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| Frequency | 121.5 |
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| Structure | |
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| Chemical Formula | C16H16O9 |
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| Molecular Mass | 352.0794 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1C(=O)CC(O)(C(=O)O)CC1O |
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| InChI Key | UGQHEAODRHWSHX-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesalpha-acyloxy ketonesbenzene and substituted derivativescarboxylic acidscyclic ketonescyclitols and derivativesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-acyloxy ketonealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcyclic ketonecarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterorganic oxideenoate esteralcoholcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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