| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:24 UTC |
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| Update Date | 2025-03-21 18:41:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134956 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C19H16O10 |
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| Molecular Mass | 404.0743 |
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| SMILES | O=C(O)C1OC(OC2=Cc3oc(=O)c4c(c3C=CC(O)=C4)C=C2)C(O)C(O)C1O |
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| InChI Key | RXUXASVLTPNFTC-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 heteropolycyclic compounds |
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| Alternative Parents | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivative |
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