| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:42 UTC |
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| Update Date | 2025-03-25 00:50:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182400 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO12 |
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| Molecular Mass | 415.0751 |
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| SMILES | O=C(O)C1OC(OC2(C(O)C(=O)O)Oc3ccccc3NC2=O)C(O)C(O)C1O |
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| InChI Key | QCWFDQGFLZEQSH-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 | alpha hydroxy acids and derivativesazacyclic compoundsbenzenoidsbenzomorpholinesbenzoxazinonesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesketalslactamsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidalpha-hydroxy acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acidbenzomorpholine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundketalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclebenzoxazinehydroxy acidcarboxamide groupoxazinaneoxacyclesecondary carboxylic acid amidemorpholinebenzoxazinonepyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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