| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:11 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220287 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO |
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| Molecular Mass | 187.0997 |
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| SMILES | COc1cccc2nc(C)c(C)cc12 |
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| InChI Key | UPQYDSRKAHZKOD-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-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | phenol etheretherazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherpyridineorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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