| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:41 UTC |
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| Update Date | 2025-03-21 18:03:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042544 |
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| Frequency | 80.3 |
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| Structure | |
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| Chemical Formula | C21H26N2O2 |
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| Molecular Mass | 338.1994 |
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| SMILES | C=CC1CN2CCC1CCC2C(O)c1ccnc2ccc(OC)cc12 |
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| InChI Key | IUJSDNMUDYFXGR-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 | quinolines and derivatives |
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| Subclass | 4-quinolinemethanols |
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| Direct Parent | 4-quinolinemethanols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols2-halopyridinesalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsazepanesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganopnictogen compoundspiperidinespolyhalopyridinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol etheretherpolyhalopyridinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinetertiary aminealcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridine4-quinolinemethanolpyridineazepaneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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