| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:50 UTC |
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| Update Date | 2025-03-21 18:01:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030947 |
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| Frequency | 147.1 |
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| Structure | |
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| Chemical Formula | C20H20ClN3O |
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| Molecular Mass | 353.1295 |
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| SMILES | NC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
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| InChI Key | PNNYEKRMUVDKFG-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-halopyridinesaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxamidespiperidinespolyhalopyridinespyridines and derivatives |
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| Substituents | carbonyl grouppolyhalopyridineorganochloride1-piperidinecarboxamideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinearyl chloridecarbonic acid derivativeazacyclepiperidinecarboxamideheteroaromatic compoundaryl halidepyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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