| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:09 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220233 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H24Cl2N2O3 |
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| Molecular Mass | 458.1164 |
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| SMILES | COc1ccc2nccc(C(O)C3CC4CCN3CC4(O)c3ccc(Cl)cc3Cl)c2c1 |
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| InChI Key | UGAZCYICNFDFLW-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-aminoalcohols2-halopyridines4-quinolinemethanolsalkyl aryl ethersanisolesaromatic alcoholsaryl chloridesazacyclic compoundschloroquinolinesdichlorobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganochloridesorganopnictogen compoundsphenylpiperidinespolyhalopyridinesquinuclidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietyetherpolyhalopyridinequinuclidineorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzenearomatic heteropolycyclic compoundcinchonan-skeletonorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinepiperidinetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridine4-quinolinemethanolaryl halidetertiary alcoholpyridineorganic oxygen compoundchloroquinolineanisolephenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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