| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:52 UTC |
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| Update Date | 2025-03-21 18:00:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026348 |
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| Frequency | 145.4 |
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| Structure | |
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| Chemical Formula | C12H13N |
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| Molecular Mass | 171.1048 |
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| SMILES | Cc1ccc(C)c2c(C)nccc12 |
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| InChI Key | FMZNMSVQDLCOFX-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 | isoquinolines and derivatives |
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| Subclass | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundmethylpyridinepyridinearomatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compound |
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