| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:38 UTC |
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| Update Date | 2025-03-25 00:59:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234747 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O3 |
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| Molecular Mass | 248.1161 |
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| SMILES | CNCC(O)c1ccnc2cc(OC)c(O)cc12 |
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| InChI Key | BXZWDMQWIHVIPS-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-hydroxy-2-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolinesmethylpyridinesorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholphenol etheretherpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholsecondary aliphatic amineazacycleheteroaromatic compoundhydroxypyridinemethylpyridine4-quinolinemethanolsecondary aminehydroxyquinolinepyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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