| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:28 UTC |
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| Update Date | 2025-03-25 00:49:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177296 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O4 |
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| Molecular Mass | 316.1423 |
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| SMILES | Cc1ccc2c3ccncc3n(CC(O)C(O)C(O)CO)c2c1 |
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| InChI Key | UIHFIMVYNYBFHT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | indoles and derivatives |
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| Subclass | pyridoindoles |
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| Direct Parent | beta carbolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesmethylpyridinesn-alkylindolesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary alcoholssecondary alcoholssubstituted pyrroles |
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| Substituents | n-alkylindoleindolepolyhalopyridinesubstituted pyrrolearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundpyrrolesecondary alcoholbeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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