| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:29 UTC |
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| Update Date | 2025-03-25 00:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223282 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O |
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| Molecular Mass | 188.095 |
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| SMILES | NCC(O)c1nccc2ccccc12 |
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| InChI Key | MUKMSNHJCPBFAZ-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 | isoquinolines and derivatives |
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| Subclass | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholalcoholazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolinesecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganooxygen compound |
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