| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:35 UTC |
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| Update Date | 2025-03-25 01:00:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243767 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H36N2O19 |
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| Molecular Mass | 644.1912 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(OC(=O)NC(CCC(=O)O)C(=O)O)C(O)C(O)C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | DAUWCXBTRPKWDE-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsc-glucuronidescarbamate esterscarbonyl compoundscarboxylic acidshydrocarbon derivativesketalsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidetricarboxylic acid or derivativespyran carboxylic acidsaccharideorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidec-glucuronidealcoholcarbonic acid derivativepyran carboxylic acid or derivativescarbamic acid esterglutamic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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