| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:40 UTC |
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| Update Date | 2025-03-25 01:01:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246359 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H19ClN2O3 |
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| Molecular Mass | 394.1084 |
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| SMILES | CC1=C(CCC(=O)O)C(=C2c3ccc(Cl)cc3CCc3cccnc32)NC1=O |
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| InChI Key | JEFLWWCMWPRHNI-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 compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidpolyhalopyridineorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinearyl chlorideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolinebenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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