| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:33 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 | DMID02243708 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO13 |
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| Molecular Mass | 437.1169 |
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| SMILES | CC(=O)NC1C(O)CC(OCC2OC(=O)C(O)=C2O)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | CTVNAFQNVJDETP-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 | acetamidesbutenolidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdihydrofuransenoate estershydrocarbon derivativesketalslactonesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidedihydrofuranenoate esterc-glucuronidealcoholpyran carboxylic acid or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidevinylogous acidpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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