| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:49 UTC |
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| Update Date | 2025-03-25 00:53:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200858 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15N3O |
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| Molecular Mass | 229.1215 |
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| SMILES | COc1ccc2[nH]cc(CCNCC#N)c2c1 |
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| InChI Key | KVBLHZYVRYDEKE-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 compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesnitrilesorganopnictogen compoundspyrroles |
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| Substituents | phenol ethersecondary aliphatic amineethernitrileazacycleindoleheteroaromatic compoundalkyl aryl ethersecondary amineorganic oxygen compoundaromatic heteropolycyclic compoundanisolepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compoundamine |
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