| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:06 UTC |
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| Update Date | 2025-03-25 00:54:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208364 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N2O2 |
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| Molecular Mass | 260.1525 |
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| SMILES | CC(C)NCC(O)Cn1ccc2ccccc2c1=O |
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| InChI Key | QFYDPHPTWWTUOI-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 | azacyclic compoundsbenzenoidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesorganic oxidesorganopnictogen compoundspolyhalopyridinespyridinonessecondary alcohols |
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| Substituents | lactampolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonealcoholsecondary aliphatic amineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminepyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compoundamine |
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