| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:47 UTC |
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| Update Date | 2025-03-25 00:53:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200781 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20N2O4 |
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| Molecular Mass | 328.1423 |
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| SMILES | COc1ccc2nccc(C(O)C3CC4CC(C(=O)O)CN43)c2c1 |
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| InChI Key | NAVIWLOLJLKVRO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | 4-quinolinemethanols |
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| Direct Parent | 4-quinolinemethanols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols2-halopyridinesalkyl aryl ethersamino acidsanisolesaromatic alcoholsazacyclic compoundsazepanesazetidinescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspolyhalopyridinespyrrolidine carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridinepyrrolidinetertiary aminealcoholazacyclen-alkylpyrrolidine1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridine4-quinolinemethanolazetidinemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativespyridineazepaneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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