| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:35 UTC |
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| Update Date | 2025-03-21 18:28:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070724 |
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| Frequency | 42.5 |
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| Structure | |
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| Chemical Formula | C24H26ClN3O |
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| Molecular Mass | 407.1764 |
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| SMILES | O=C(C1CCCN1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 |
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| InChI Key | OMSRPDYDZNNIHK-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 derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesn-acylpiperidinesorganic oxidesorganochloridesorganopnictogen compoundspolyhalopyridinespyridines and derivativespyrrolidinecarboxamidestertiary carboxylic acid amides |
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| Substituents | carbonyl groupamino acid or derivativespolyhalopyridineorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridinepyrrolidinepiperidinearyl chloridesecondary aliphatic aminealpha-amino acid amideazacycleheteroaromatic compoundsecondary aminecarboxamide grouparyl haliden-acyl-piperidinepyrrolidine carboxylic acid or derivativespyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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