| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:28 UTC |
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| Update Date | 2025-03-21 18:34:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099196 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C14H10ClNO |
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| Molecular Mass | 243.0451 |
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| SMILES | O=C1c2ccc(Cl)cc2CCc2cccnc21 |
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| InChI Key | WMQNOYVVLMIZDV-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 | benzocycloheptapyridines |
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| Subclass | benzocycloheptapyridines |
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| Direct Parent | benzocycloheptapyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl chloridesaryl ketonesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | aryl chlorideazacyclepolyhalopyridineorganochlorideheteroaromatic compoundorganohalogen compoundaryl halideketoneorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundbenzocycloheptapyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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