| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:01 UTC |
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| Update Date | 2025-03-25 00:55:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210565 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H36N2O15 |
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| Molecular Mass | 568.2116 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(N3CCCC3C(=O)O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | QSMDHGMFYFYTHY-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 | c-glucuronides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshemiaminalshydrocarbon derivativesketalsmonosaccharidesn-alkylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsproline and derivativespyran carboxylic acidspyrrolidine carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidealpha-amino acid or derivativescarboxylic acid derivativepyran carboxylic acidhemiaminalorganic oxideacetalketalpyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanepyrrolidineprimary alcoholorganoheterocyclic compoundacetamidec-glucuronideproline or derivativesalcoholpyran carboxylic acid or derivativesazacyclen-alkylpyrrolidinecarboxamide groupoxacyclesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativespyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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