| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:57 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162327 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O9 |
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| Molecular Mass | 340.0794 |
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| SMILES | O=C(O)CCC(O)(CC(=O)O)OC(=O)C=Cc1ccc(O)c(O)c1 |
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| InChI Key | XIIWXNBPHKYLMA-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 benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsenoate estersfatty acid estershemiketalshydrocarbon 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 oxidehemiacetalenoate esterhemiketal1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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