| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:03 UTC |
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| Update Date | 2025-03-21 18:05:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055176 |
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| Frequency | 58.1 |
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| Structure | |
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| Chemical Formula | C21H22O9 |
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| Molecular Mass | 418.1264 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OCOC(=O)CCC(O)Cc1ccc(O)c(O)c1 |
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| InChI Key | BIVWCXCWRFRMBM-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 benzenoidsacetalsacylalsbenzene and substituted derivativescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeacylalalpha,beta-unsaturated carboxylic esterorganic oxideacetalenoate esteralcohol1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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