| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:54 UTC |
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| Update Date | 2025-03-25 00:47:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164491 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O7 |
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| Molecular Mass | 352.1271 |
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| SMILES | CC(=O)NC1C(OC2C(=O)Nc3ccccc32)OC(CO)C(O)C1O |
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| InChI Key | WBFSHBVYDRFJFC-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 | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsacetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesindolesindolineslactamsmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamindolemonosaccharidecarboxylic acid derivativen-acyl-alpha-hexosamineorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxanedihydroindoleprimary alcoholorganoheterocyclic compoundacetamidealcoholazacycleindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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