| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:33 UTC |
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| Update Date | 2025-03-25 01:00:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241353 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H35NO15 |
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| Molecular Mass | 541.2007 |
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| SMILES | CC(=O)NC1CCC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)(C(=O)O)CC1O |
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| InChI Key | CZIUJIDSNOEVKM-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 | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdialkyl ethershydrocarbon derivativesketalsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidmonosaccharidecarboxylic acid derivativedialkyl ethersaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidetetrahydrofurancyclohexanolcyclic alcoholcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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