| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:39 UTC |
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| Update Date | 2025-03-21 18:38:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119198 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C22H23ClN2O2 |
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| Molecular Mass | 382.1448 |
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| SMILES | O=C(O)CCN1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
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| InChI Key | DHTCSDVDDQFTPZ-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-halopyridinesamino acidsaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundspiperidinespolyhalopyridinestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidpolyhalopyridineorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinetertiary aminearyl chlorideazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinearyl halidemonocarboxylic acid or derivativespyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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