| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:47 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248901 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18N2O3 |
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| Molecular Mass | 262.1317 |
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| SMILES | COc1cc2c(=O)[nH]cc(CCN(C)C)c2cc1O |
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| InChI Key | OOXOJCNSWDZUFN-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesorganic oxidesorganopnictogen compoundspolyhalopyridinespyridinonestrialkylamines |
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| Substituents | phenol etheretherlactampolyhalopyridine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonetertiary amineazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneamineorganooxygen compound |
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