| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:44 UTC |
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| Update Date | 2025-03-25 00:47:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159618 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10N2O |
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| Molecular Mass | 210.0793 |
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| SMILES | O=CCc1c[nH]c2cnc3ccccc3c12 |
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| InChI Key | WNWFQYSPAFGFTG-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 | pyrroloquinolines |
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| Direct Parent | pyrroloquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha-hydrogen aldehydesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyrroles |
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| Substituents | carbonyl grouppyrroloquinolineazacyclepolyhalopyridineheteroaromatic compoundaldehydeorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundalpha-hydrogen aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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