| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:36 UTC |
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| Update Date | 2025-03-21 18:39:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123719 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C13H12N2 |
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| Molecular Mass | 196.1 |
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| SMILES | CCc1nccc2c1[nH]c1ccccc12 |
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| InChI Key | YTQRHYCHEIXUIU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | harmala alkaloids |
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| Subclass | harmala alkaloids |
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| Direct Parent | harmala alkaloids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsbeta carbolinesheteroaromatic compoundshydrocarbon derivativesindolesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrroles |
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| Substituents | azacycleindolepolyhalopyridineheteroaromatic compoundharmanindole or derivativesmethylpyridinepyridinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundbeta-carbolinehydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganoheterocyclic compoundpyridoindole |
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