| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:20 UTC |
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| Update Date | 2025-03-21 18:38:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118453 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C11H11NO3 |
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| Molecular Mass | 205.0739 |
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| SMILES | CCOC(=O)C1C(O)=Nc2ccccc21 |
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| InChI Key | IROROIJHDOSJFK-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscyclic carboximidic acidshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupazacycleindoleorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundindolecarboxylic acidcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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