| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:26 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179516 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H22N2O3 |
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| Molecular Mass | 314.163 |
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| SMILES | COc1ccc2nccc(C(O)C3(O)CC4CCN3CC4)c2c1 |
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| InChI Key | DTIKXIJPKRQGHX-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 compoundshemiaminalsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspiperidinespolyhalopyridinesquinuclidinessecondary alcohols |
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| Substituents | aromatic alcoholphenol etheretherpolyhalopyridinequinuclidinealkyl aryl etherhemiaminalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinealkanolaminealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridine4-quinolinemethanolpyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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