| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:05 UTC |
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| Update Date | 2025-03-25 00:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222358 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11NO2 |
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| Molecular Mass | 225.079 |
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| SMILES | O=C1c2ccccc2CCc2c(O)ccnc21 |
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| InChI Key | CUEZLVULFUIKGT-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 ketonesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineketoneorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundbenzocycloheptapyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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