| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:06 UTC |
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| Update Date | 2025-03-25 01:00:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245015 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14NO+ |
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| Molecular Mass | 188.107 |
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| SMILES | CC[n+]1ccc2ccc(OC)cc2c1 |
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| InChI Key | CEWXUDJNQXSJGW-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 | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic cationsorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | phenol etheretherazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherpyridineorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compound |
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