| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:37 UTC |
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| Update Date | 2025-03-21 18:05:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054180 |
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| Frequency | 59.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O |
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| Molecular Mass | 204.1263 |
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| SMILES | COc1ccc2c(c1)c(CCN)cn2C |
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| InChI Key | OTEBNZFSZYXZFI-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 | n-alkylindoles |
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| Direct Parent | n-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-methylpyrrolesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | phenol ethern-methylpyrroleethern-alkylindoleazacycleindoleheteroaromatic compoundsubstituted pyrrolealkyl aryl etherorganic oxygen compoundaromatic heteropolycyclic compoundanisolepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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