| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:32 UTC |
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| Update Date | 2025-03-25 00:47:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18O10 |
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| Molecular Mass | 370.09 |
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| SMILES | C=C(C)C(=O)c1c(O)cc(O)cc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | YBBXNNFYQNEQAI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalpha-branched alpha,beta-unsaturated ketonesaryl ketonesbenzoyl derivativesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanespyran carboxylic acidsresorcinolssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealpha,beta-unsaturated ketonecarboxylic acid derivativepyran carboxylic acidresorcinolketonephenylpropane1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholalpha-branched alpha,beta-unsaturated-ketonepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundaryl ketone |
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