| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:56 UTC |
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| Update Date | 2025-03-25 00:46:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20N2O3 |
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| Molecular Mass | 312.1474 |
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| SMILES | COc1ccc2c(C(O)C3CC4CCN3CC4=O)ccnc2c1 |
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| InChI Key | ZPBUUOFZACEPOH-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 compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesketonesmethylpyridinesorganic oxidesorganopnictogen compoundspiperidinonespolyhalopyridinesquinuclidonessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupetherpolyhalopyridinequinuclidinealkyl aryl etherketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinone2-halopyridinepiperidinetertiary aminealcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridine4-quinolinemethanolpyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundquinuclidoneamineorganooxygen compound |
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