| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:12 UTC |
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| Update Date | 2025-03-25 00:47:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162884 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16O12S |
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| Molecular Mass | 420.0362 |
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| SMILES | O=C(C=Cc1ccc(OS(=O)(=O)O)c(O)c1)OC1OC(C(=O)O)C(O)CC1O |
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| InChI Key | QVGDWQLHTFZJFX-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 benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsphenylsulfatespyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupsulfuric acid monoestercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidphenylsulfatealpha,beta-unsaturated carboxylic esterbeta-hydroxy acidsaccharideorganic oxideacetalarylsulfateoxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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