| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:10 UTC |
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| Update Date | 2025-03-21 18:36:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113146 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C16H16O11 |
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| Molecular Mass | 384.0693 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1OC(C(=O)O)C(O)(C(=O)O)CC1O |
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| InChI Key | BAKVPJVHERACLU-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 benzenoidsacetalsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsenoate estersfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholstertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidalpha,beta-unsaturated carboxylic estersaccharideorganic oxideacetaloxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid estertertiary alcoholorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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