| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:58 UTC |
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| Update Date | 2025-03-21 18:05:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054972 |
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| Frequency | 58.4 |
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| Structure | |
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| Chemical Formula | C12H11NO3 |
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| Molecular Mass | 217.0739 |
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| SMILES | COC(=O)C(=O)Cc1c[nH]c2ccccc12 |
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| InChI Key | LEYBGKPXYOVLSP-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 | alpha-keto acids and derivativesazacyclic compoundsbenzenoidsfatty acid estersheteroaromatic compoundshydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | fatty acylcarbonyl groupindolecarboxylic acid derivativeketoneorganic oxidemethyl esteraromatic heteropolycyclic compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundazacycleheteroaromatic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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