| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:45 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219285 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23N3O2 |
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| Molecular Mass | 313.179 |
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| SMILES | COc1ccc2c(NCCCNC(C)=O)c3c(nc2c1)CCC3 |
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| InChI Key | YCNBOWKWXSDWAD-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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesalkyl aryl ethersamino acids and derivativesanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupetheramino acid or derivativespolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineacetamideazacycleheteroaromatic compoundmethylpyridinesecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amidepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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