| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:40 UTC |
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| Update Date | 2025-03-25 00:56:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221405 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO9 |
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| Molecular Mass | 327.059 |
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| SMILES | O=C(O)C1OC(Oc2cc(=O)oc3cc[nH]c23)C(O)C(O)C1O |
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| InChI Key | VUDDHHZVNRPKAE-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 | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativespyrrolessecondary alcoholsvinylogous esters |
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| Substituents | carbonyl groupcarboxylic acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundpyranoneorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclevinylogous esterheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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