| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:39 UTC |
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| Update Date | 2025-03-21 18:06:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061371 |
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| Frequency | 50.8 |
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| Structure | |
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| Chemical Formula | C21H24ClN2+ |
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| Molecular Mass | 339.1623 |
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| SMILES | C[N+]1(C)CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
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| InChI Key | YXAODDXOMDACMJ-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-halopyridinesaminesaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic cationsorganic saltsorganochloridesorganopnictogen compoundspiperidinespolyhalopyridinestetraalkylammonium salts |
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| Substituents | polyhalopyridineorganochlorideorganohalogen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationorganic saltpiperidinearyl chloridetetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundmethylpyridinearyl halidepyridinebenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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