| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:55 UTC |
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| Update Date | 2025-03-25 00:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224293 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O8 |
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| Molecular Mass | 336.0845 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1CC(=O)C(C(=O)O)CC1O |
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| InChI Key | OPGUYRFRMBAOTB-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 | 1,3-dicarbonyl compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarboxylic acidscyclic alcohols and derivativescyclic ketonesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidcyclic ketonecarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterorganic oxideenoate esteralcohol1-hydroxy-4-unsubstituted benzenoidcyclic alcoholhydroxycinnamic acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid1,3-dicarbonyl compoundorganooxygen compound |
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