| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:58 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224378 |
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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 | O=C(O)C1CC2CCN1CC2C(O)c1ccnc2ccc(O)cc12 |
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| InChI Key | ATDLGOGKCNGOIS-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 | 1,3-aminoalcohols1-hydroxy-2-unsubstituted benzenoids2-halopyridinesalpha amino acidsamino acidsaromatic alcoholsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridinesquinuclidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidamino acid or derivativesamino acidpolyhalopyridinequinuclidine1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinepiperidinetertiary aminealcohol1,3-aminoalcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridine4-quinolinemethanolhydroxyquinolinemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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