| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:32 UTC |
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| Update Date | 2025-03-25 00:53:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200201 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | COC(=O)Cc1cn(C)c2ccc(O)cc12 |
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| InChI Key | LBRGVGMLKMYRSQ-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesindolesmethyl estersmonocarboxylic acids and derivativesn-methylpyrrolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | carbonyl groupn-methylpyrrolen-alkylindoleindole1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolecarboxylic acid derivativeorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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