| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:58 UTC |
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| Update Date | 2025-03-21 18:31:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086062 |
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| Frequency | 33.2 |
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| Structure | |
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| Chemical Formula | C21H26N2O4 |
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| Molecular Mass | 370.1893 |
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| SMILES | COc1ccc2nccc(C(O)C3CC4CCN3CC4CCC(=O)O)c2c1 |
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| InChI Key | SRARCKUIFDDDFZ-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 compoundspiperidinespolyhalopyridinesquinuclidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidpolyhalopyridinequinuclidinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundcinchonan-skeletonorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinepiperidinetertiary amineorganoheterocyclic compoundalcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridine4-quinolinemethanolmonocarboxylic acid or derivativespyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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