| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:36 UTC |
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| Update Date | 2025-03-25 00:48:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170671 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13NO2 |
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| Molecular Mass | 215.0946 |
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| SMILES | COC(=O)CCc1ccc2ccccc2n1 |
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| InChI Key | CVILCWZAIZUGJC-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-halopyridinesazacyclic compoundsbenzenoidscarbonyl compoundsfatty acid estersheteroaromatic compoundshydrocarbon derivativesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | fatty acylcarbonyl grouppolyhalopyridinecarboxylic acid derivativeorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundmethylpyridinefatty acid estermonocarboxylic acid or derivativespyridineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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