| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:12 UTC |
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| Update Date | 2025-03-25 00:49:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174356 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H28N2O12 |
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| Molecular Mass | 440.1642 |
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| SMILES | CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)CNCC1(O)OC(CO)C(O)C1O |
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| InChI Key | LPBAKIKLHYZRRI-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 hydroxy acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylamineshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholsecondary aliphatic aminepyran carboxylic acid or derivativestetrahydrofuranhydroxy acidsecondary aminecarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamine |
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