| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:38 UTC |
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| Update Date | 2025-03-21 18:05:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056519 |
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| Frequency | 56.4 |
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| Structure | |
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| Chemical Formula | C21H22ClN3O |
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| Molecular Mass | 367.1451 |
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| SMILES | NCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
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| InChI Key | CZZLKFOCLVIGNZ-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 | 2-halopyridinesalpha amino acid amidesalpha amino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesn-acylpiperidinesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativestertiary carboxylic acid amides |
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| Substituents | carbonyl grouppolyhalopyridineorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridinepiperidinearyl chloridealpha-amino acid amideazacycleheteroaromatic compoundcarboxamide grouparyl haliden-acyl-piperidinepyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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