| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:56 UTC |
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| Update Date | 2025-03-21 18:00:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028847 |
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| Frequency | 130.1 |
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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 | O=C(O)CCC(=O)c1c[nH]c2ccccc12 |
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| InChI Key | NLUOPJQCFYTMGC-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 | aryl alkyl ketonesazacyclic compoundsbenzenoidscarboxylic acidsgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketoneindolecarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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