| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:40 UTC |
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| Update Date | 2025-03-21 17:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016802 |
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| Frequency | 253.3 |
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| Structure | |
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| Chemical Formula | C21H21ClN2O2 |
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| Molecular Mass | 368.1292 |
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| SMILES | COC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
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| InChI Key | XTGUGVYFFYZHSJ-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 derivativesmethylcarbamatesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridines |
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| Substituents | carbonyl groupmethylcarbamatepolyhalopyridineorganochlorideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinepiperidinearyl chloridecarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid estermethylpyridinearyl halidepyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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