Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 16:44:45 UTC |
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Update Date | 2025-03-25 01:33:28 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02443379 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C48H77N3O38 |
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Molecular Mass | 1303.4185 |
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SMILES | CC(=O)NC1C(O)CC(OCC2OC(OC3C(O)C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C3O)C(NC(C)=O)C(OC3OC(C(=O)O)C(O)C(OC4(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O4)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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InChI Key | FSVXWVNHHSNPDQ-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 | n-acyl-alpha-hexosamines |
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Geometric Descriptor | aliphatic heteromonocyclic compounds |
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Alternative Parents | acetamidesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshemiacetalshydrocarbon derivativesketalsmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativeso-glucuronidemonosaccharidetricarboxylic acid or derivativescarboxylic acid derivativepyran carboxylic acidn-acyl-alpha-hexosamine1-o-glucuronidebeta-hydroxy acidorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidepyransecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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