| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:58 UTC |
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| Update Date | 2025-03-25 00:56:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219799 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O9 |
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| Molecular Mass | 352.0794 |
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| SMILES | COC1=C(O)C(C(CO)OC(=O)C=Cc2ccc(O)c(O)c2)OC1=O |
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| InChI Key | PYMOLZLIYLDBOI-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 derivativesbutenolidescarbonyl compoundsdicarboxylic acids and derivativesdihydrofuransenoate estersfatty acid estershydrocarbon derivativeslactonesmonosaccharidesorganic oxidesoxacyclic compoundsprimary alcoholsvinylogous acids |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic ester2-furanonesaccharideorganic oxideprimary alcoholorganoheterocyclic compounddihydrofuranenoate esteralcohol1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid estervinylogous acidorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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