| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:37 UTC |
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| Update Date | 2025-03-25 00:55:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214367 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H24N2O3 |
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| Molecular Mass | 364.1787 |
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| SMILES | CCOC(=O)N1CCC(=C2c3cc(O)ccc3CCc3cccnc32)CC1 |
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| InChI Key | AIIWNYDOIWUIOI-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 | benzocycloheptapyridines |
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| Subclass | benzocycloheptapyridines |
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| Direct Parent | benzocycloheptapyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridines |
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| Substituents | carbonyl grouppolyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinepiperidinecarbonic acid derivativeazacycleheteroaromatic compoundhydroxypyridinecarbamic acid estermethylpyridinepyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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