| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:56 UTC |
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| Update Date | 2025-03-21 18:38:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122202 |
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| Frequency | 21.2 |
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| Structure | |
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| Chemical Formula | C16H18O8 |
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| Molecular Mass | 338.1002 |
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| SMILES | O=CC1(O)CC(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1 |
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| InChI Key | RRHCGDWZYANXJN-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 benzenoidsaldehydesbenzene and substituted derivativescyclitols and derivativescyclohexanolsenoate estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideenoate esteralcoholcyclohexanolaldehydecyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid estertertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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