| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:47 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248899 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O |
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| Molecular Mass | 243.1372 |
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| SMILES | COc1cc2[nH]cc(CCN(C)C)c2cc1C#N |
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| InChI Key | MSHXVAPJOMCSIO-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 | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganopnictogen compoundspyrrolestrialkylamines |
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| Substituents | phenol etherethernitrileazacycleindoleheteroaromatic compoundtertiary aliphatic aminealkyl aryl etherorganic oxygen compoundaromatic heteropolycyclic compoundanisolepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminecarbonitriletertiary amineorganooxygen compound |
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