| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:54 UTC |
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| Update Date | 2025-03-25 00:51:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185095 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O8 |
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| Molecular Mass | 380.122 |
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| SMILES | NC(=O)CCc1c[nH]c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc12 |
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| InChI Key | WFCHXZHWJHFPTI-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 acidsfatty amidesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersprimary carboxylic acid amidespyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | primary carboxylic acid amidefatty acylphenol ethercarbonyl groupcarboxylic acidindolefatty amideo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidcarboxamide groupoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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