| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:45 UTC |
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| Update Date | 2025-03-25 00:49:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175597 |
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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(C=Cc1ccc(O)c(O)c1)OC(CO)C1OC(=O)C(O)C1O |
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| InChI Key | JWHBZYDYVDDRFA-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundsdicarboxylic acids and derivativesenoate estersfatty acid estersgamma butyrolactoneshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic estersaccharideorganic oxideprimary alcoholorganoheterocyclic compoundenoate esteralcoholtetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactonehydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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