| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:21 UTC |
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| Update Date | 2025-03-21 18:35:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106299 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C16H19NO4 |
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| Molecular Mass | 289.1314 |
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| SMILES | CCC(CCC(=O)O)COC(=O)c1c[nH]c2ccccc12 |
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| InChI Key | ADEJGGUWKCWEKJ-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 and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino fatty acidsazacyclic compoundsbenzenoidsbranched fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativesvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidindolefatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundamino fatty acidbranched fatty acidorganic oxygen compoundcarboxylic acid esterpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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