| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:03 UTC |
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| Update Date | 2025-03-21 18:07:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069467 |
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| Frequency | 43.5 |
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| Structure | |
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| Chemical Formula | C16H17ClN2O3 |
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| Molecular Mass | 320.0928 |
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| SMILES | CCOC(=O)N1CCC(=C2C(=O)Nc3cc(Cl)ccc32)CC1 |
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| InChI Key | ZRNGMGVQQAVOSB-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesindolineslactamsorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamindoleorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic aciddihydroindolepiperidinearyl chloridecarbonic acid derivativeazacyclecarbamic acid estercarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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