| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:55 UTC |
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| Update Date | 2025-03-21 18:34:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102778 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C18H22O12 |
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| Molecular Mass | 430.1111 |
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| SMILES | O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | SNQDQFSKOIVNHC-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 | c-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesenoate estersfatty acid estershemiacetalshydrocarbon derivativeshydroxycinnamic acidsorganic oxidesoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativesorganic oxidehemiacetaloxaneprimary alcoholorganoheterocyclic compoundenoate esterc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidhydroxycinnamic acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoid |
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