| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:51 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153141 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H31N3O12 |
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| Molecular Mass | 505.1908 |
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| SMILES | NC(=O)C1=CN(C2OC(COC3(C(=O)O)CC(O)C(N)C(C(O)C(O)CO)O3)C(O)C2O)C=CC1 |
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| InChI Key | PDGVCGQJXAZBIW-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 | azacyclic compoundscarbonyl compoundscarboxylic acidsdelta amino acids and derivativesdihydropyridinesenamineshydrocarbon derivativesketalsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary carboxylic acid amidespyran carboxylic acidssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidnicotinamidemonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxideacetalketalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativesdihydropyridineoxaneprimary alcoholorganoheterocyclic compoundc-glucuronidealcoholvinylogous amidepyran carboxylic acid or derivativesazacycletetrahydrofurancarboxamide groupn-substituted nicotinamideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundenamine |
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