| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:22 UTC |
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| Update Date | 2025-03-21 18:03:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041787 |
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| Frequency | 82.1 |
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| Structure | |
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| Chemical Formula | C19H24N2O4 |
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| Molecular Mass | 344.1736 |
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| SMILES | COc1ccc2nccc(C(O)C3CC4CCN3CC4(O)CO)c2c1 |
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| InChI Key | UBAQQADIYSSGSE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | cinchona alkaloids |
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| Subclass | cinchona alkaloids |
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| Direct Parent | cinchona alkaloids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1,3-aminoalcohols2-halopyridines4-quinolinemethanolsalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganopnictogen compoundspiperidinespolyhalopyridinesquinuclidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol etheretherpolyhalopyridinequinuclidinealkyl aryl etheraromatic heteropolycyclic compoundcinchonan-skeletonorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinepiperidinetertiary amineorganoheterocyclic compoundalcohol1,3-aminoalcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridine4-quinolinemethanoltertiary alcoholpyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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