| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:37 UTC |
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| Update Date | 2025-03-25 00:52:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191242 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H32N2O15 |
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| Molecular Mass | 528.1803 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OOC(CO)C(O)C2O)(C(=O)NCC(=O)O)OC1C(O)C(O)CO |
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| InChI Key | DUCPOXQJLHHUJE-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 | 1,2-dioxanesacetamidesalpha amino acidscarbonyl compoundscarboxylic acidsdialkyl peroxideshydrocarbon derivativesketalsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidspyranssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidorganic oxideacetalketaldialkyl peroxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidealcoholpyran carboxylic acid or derivativescarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundortho-dioxaneorganooxygen compound |
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