| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:48 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166595 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20O10 |
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| Molecular Mass | 396.1056 |
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| SMILES | CC(=O)OC1C(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1O |
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| InChI Key | FEULFKVQQVILEV-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsenoate estersfatty acid estershydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativescarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxide1,2-diolenoate esteralcoholcyclohexanolcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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