| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:28 UTC |
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| Update Date | 2025-03-21 18:34:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101679 |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C11H11NO2 |
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| Molecular Mass | 189.079 |
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| SMILES | O=c1[nH]cc(CCO)c2ccccc12 |
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| InChI Key | RPCLUGQBVPRGKM-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 | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alcohols and polyolsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinones |
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| Substituents | alcohollactamazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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