| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:42 UTC |
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| Update Date | 2025-03-25 00:59:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237155 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H40N2O16 |
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| Molecular Mass | 600.2378 |
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| SMILES | O=C(NC1C(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1O)C1CCCN1 |
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| InChI Key | BRUDDUCTDGJAFE-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 | acetalsalpha amino acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsproline and derivativespyrrolidinecarboxamidessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupamino acid or derivativesmonosaccharidealpha-amino acid or derivativescarboxylic acid derivativen-acyl-alpha-hexosamineorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxanepyrrolidineprimary alcoholorganoheterocyclic compoundproline or derivativesalcoholsecondary aliphatic aminealpha-amino acid amideazacyclesecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideamine |
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