| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:04 UTC |
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| Update Date | 2025-03-21 18:29:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076706 |
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| Frequency | 38.4 |
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| Structure | |
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| Chemical Formula | C26H30N2O5 |
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| Molecular Mass | 450.2155 |
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| SMILES | COc1ccc2nccc(C(O)C3CC4CCN3CC4(O)Cc3ccc(O)c(OC)c3)c2c1 |
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| InChI Key | JTLMRYHYNSBQFX-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-hydroxy-2-unsubstituted benzenoids2-halopyridines3-benzylpiperidines4-quinolinemethanolsalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethoxybenzenesmethoxyphenolsmethylpyridinesorganopnictogen compoundsphenoxy compoundspolyhalopyridinesquinuclidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietyetherpolyhalopyridinequinuclidine1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ether3-benzylpiperidinearomatic heteropolycyclic compoundcinchonan-skeletonorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinepiperidinetertiary amineorganoheterocyclic compoundalcoholbenzylpiperidineazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridine4-quinolinemethanolmethoxybenzenetertiary alcoholpyridineorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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