| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:32 UTC |
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| Update Date | 2025-03-21 18:38:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118922 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C14H11NO |
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| Molecular Mass | 209.0841 |
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| SMILES | COc1ccc2c(ccc3cnccc32)c1 |
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| InChI Key | QFHXMRYNTNZXPI-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 derivativesmethylpyridinesnaphthalenesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | phenol etheretherazacyclepolyhalopyridineheteroaromatic compoundmethylpyridinealkyl aryl etherpyridinenaphthaleneorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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