| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:34 UTC |
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| Update Date | 2025-03-25 00:59:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236883 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12O8 |
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| Molecular Mass | 308.0532 |
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| SMILES | O=C(C=Cc1ccc(O)cc1)OC(CC(=O)C(=O)O)C(=O)O |
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| InChI Key | YBLFVYNYTGGZRV-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 benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarboxylic acidsenoate estersfatty acid estersgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesalpha-hydroxy ketonecarboxylic acid derivativeketonealpha,beta-unsaturated carboxylic esterorganic oxidealpha-keto acidenoate esterhydroxycinnamic acidgamma-keto acidaromatic homomonocyclic compoundfatty acid esterorganic oxygen compoundketo acidcarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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