| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:36 UTC |
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| Update Date | 2025-03-25 00:53:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200369 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O2 |
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| Molecular Mass | 274.1681 |
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| SMILES | Cc1nccc2c(OCC(O)CNC(C)C)cccc12 |
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| InChI Key | OJIJWZLIRWFNMJ-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 ethersazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganopnictogen compoundsphenol etherspolyhalopyridinessecondary alcohols |
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| Substituents | phenol etheretherpolyhalopyridinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholsecondary aliphatic amineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminepyridineorganic oxygen compoundisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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