| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:50 UTC |
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| Update Date | 2025-03-25 00:56:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221788 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O |
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| Molecular Mass | 268.1576 |
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| SMILES | OC(c1nccc2ccccc12)C1CC2CCN1CC2 |
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| InChI Key | DPVVNTRFAUMKLJ-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 | 1,2-aminoalcohols2-halopyridinesaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganopnictogen compoundspiperidinespolyhalopyridinesquinuclidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholpolyhalopyridinequinuclidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinetertiary aminealcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinepyridineorganic oxygen compoundisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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