| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:37 UTC |
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| Update Date | 2025-03-25 00:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221305 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H17NO7 |
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| Molecular Mass | 323.1005 |
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| SMILES | O=C(O)C1OC(O)(C(O)c2c[nH]c3ccccc23)CC(O)C1O |
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| InChI Key | BZDOUKRVXLJVFI-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 heteropolycyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidindolemonosaccharidecarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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