| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:07 UTC |
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| Update Date | 2025-03-25 00:57:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226880 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14ClNO |
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| Molecular Mass | 223.0764 |
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| SMILES | CC(C)CC1C(O)=Nc2cc(Cl)ccc21 |
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| InChI Key | LXCIBMFDNCYKBS-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 | 3-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscyclic carboximidic acidshydrocarbon derivativesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aryl chlorideazacycleorganochloride3-alkylindoleorganic 1,3-dipolar compoundorganohalogen compoundaryl halidepropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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