| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:53 UTC |
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| Update Date | 2025-03-21 18:04:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050241 |
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| Frequency | 71.0 |
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| Structure | |
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| Chemical Formula | C14H15NO8 |
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| Molecular Mass | 325.0798 |
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| SMILES | O=C1Nc2ccccc2C1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | CNZUPXLASXYOKM-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 derivativeshydrocarbon derivativesindolesindolineslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidindoleo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanedihydroindoleorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleindole or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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