| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:17 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172233 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O10 |
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| Molecular Mass | 412.1118 |
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| SMILES | CC(=O)NC1C(=O)Nc2ccccc2OC1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | QUJMYAPKCLVKKQ-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 | 1,4-oxazepinesacetalsacetamidesalpha amino acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acido-glucuronidemonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesalcoholpyran carboxylic acid or derivativesazacyclen-acyl-alpha-amino acidhydroxy acidcarboxamide grouppara-oxazepineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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