| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:24 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183945 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO3 |
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| Molecular Mass | 229.0739 |
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| SMILES | O=C1CCC(c2cc3ccccc3[nH]c2=O)O1 |
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| InChI Key | WDBXHRALJDJTDF-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 | quinolones and derivatives |
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| Direct Parent | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativeshydroquinolineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridines and derivativespyridinonestetrahydrofurans |
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| Substituents | carbonyl grouplactampolyhalopyridinecarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazacycletetrahydrofuranheteroaromatic compounddihydroquinolinegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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