| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:47 UTC |
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| Update Date | 2025-03-21 18:00:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028475 |
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| Frequency | 132.2 |
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| Structure | |
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| Chemical Formula | C15H18N2O2 |
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| Molecular Mass | 258.1368 |
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| SMILES | COc1ccc2nccc(C(O)C3CCCN3)c2c1 |
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| InChI Key | IZBQEEYPDNJHBN-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 | 2-halopyridinesalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganopnictogen compoundspolyhalopyridinespyrrolidinessecondary alcohols |
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| Substituents | aromatic alcoholphenol etheretherpolyhalopyridinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepyrrolidinealcoholsecondary aliphatic amineazacycleheteroaromatic compoundhydroxypyridinemethylpyridine4-quinolinemethanolsecondary aminepyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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