| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:29 UTC |
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| Update Date | 2025-03-25 01:00:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241210 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H42N2O22 |
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| Molecular Mass | 746.2229 |
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| SMILES | CC(=O)NCC(=O)OC1OC(C(=O)O)C(O)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C1O |
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| InChI Key | CJFOCTLBIZCGGZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsalpha-amino acyl ester of carbohydratesbeta hydroxy acids and derivativesc-glucuronidescarbonyl compoundscarboxylic acid esterscarboxylic acidsglucuronic acid derivativeshydrocarbon 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 derivativespyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholpyran carboxylic acid or derivativesalpha-amino acid esterhydroxy acidcarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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