| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:27 UTC |
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| Update Date | 2025-03-25 00:50:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179548 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9NO |
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| Molecular Mass | 183.0684 |
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| SMILES | COc1ccc2ccnc3c2c1C=C3 |
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| InChI Key | XNLTUORUQXCXBM-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-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | phenol etheretherazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherpyridineorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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