| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:33 UTC |
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| Update Date | 2025-03-25 00:52:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191107 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H24N2O5 |
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| Molecular Mass | 384.1685 |
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| SMILES | C=CC1(O)CN2CCC1C(C(=O)O)C2C(O)c1ccnc2ccc(OC)cc12 |
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| InChI Key | LLIOJODOJJBRFW-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 ethersamino acidsanisolesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridinesquinuclidinessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidpolyhalopyridinequinuclidinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundcinchonan-skeletonorganonitrogen compoundquinolineorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinepiperidinetertiary amineorganoheterocyclic compoundalcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridine4-quinolinemethanoltertiary alcoholmonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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