| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:13 UTC |
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| Update Date | 2025-03-25 00:46:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154015 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H22N2O4 |
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| Molecular Mass | 390.158 |
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| SMILES | COc1ccc2nccc(C(O)C3C4CCN(O4)C3C(=O)c3ccccc3)c2c1 |
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| InChI Key | KHALPBOQUHHEHY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridines4-quinolinemethanolsalkyl aryl ethersanisolesaromatic alcoholsaryl alkyl ketonesazacyclic compoundsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesisoxazolidinesmethylpyridinesn-organohydroxylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundspiperidinespolyhalopyridinessecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietyetheraryl alkyl ketonepolyhalopyridinebenzoylalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinepiperidineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundisoxazolidinehydroxypyridinemethylpyridine4-quinolinemethanoln-organohydroxylamineoxacyclepyridineanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundalkyl-phenylketone |
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