| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:48:41 UTC |
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| Update Date | 2025-03-24 17:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01031071 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C9H7NO |
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| Molecular Mass | 145.0528 |
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| SMILES | O=c1ccc2c[nH]ccc-2c1 |
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| InChI Key | BZHZTGBNJATAGG-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 | azacyclic compoundsbenzenoidscyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundcyclic ketoneorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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