| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:10 UTC |
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| Update Date | 2025-03-21 18:36:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110746 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C15H18N2O4 |
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| Molecular Mass | 290.1267 |
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| SMILES | NC(CCCCn1cc(C(=O)O)c2ccccc21)C(=O)O |
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| InChI Key | MLWVJTSPIMWKLE-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 | 1-carboxy-2-haloaromatic compoundsalpha amino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmonoalkylaminesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acidssubstituted pyrrolesvinylogous amides |
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| Substituents | fatty acylcarbonyl groupn-alkylindolecarboxylic acidpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidindolefatty acidalpha-amino acid or derivativessubstituted pyrrolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid1-carboxy-2-haloaromatic compoundindolecarboxylic acid derivativevinylogous amideazacycleheteroaromatic compoundamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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