Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:47:47 UTC |
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Update Date | 2025-03-21 18:01:29 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00033214 |
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Frequency | 109.4 |
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Structure | |
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Chemical Formula | C13H15NO3 |
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Molecular Mass | 233.1052 |
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SMILES | O=C(O)CCCCC1C(O)=Nc2ccccc21 |
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InChI Key | VJPOBTUHWYTIOL-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 | 3-alkylindoles |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | amino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscyclic carboximidic acidsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acid3-alkylindolecarboxylic acid derivativemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidazacycleorganic 1,3-dipolar compoundamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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