| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:31 UTC |
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| Update Date | 2025-03-25 00:54:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15NO9S |
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| Molecular Mass | 373.0468 |
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| SMILES | O=C(O)C1OC(Oc2c[nH]c3cc(S(=O)O)ccc23)C(O)C(O)C1O |
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| InChI Key | PTQVKLRZLAVSQQ-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 compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcoholssulfinic acids |
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| Substituents | carbonyl groupcarboxylic acidindolesulfinic acid derivativeo-glucuronidemonosaccharideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidsulfinic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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