| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:38 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177689 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H28N2O4 |
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| Molecular Mass | 360.2049 |
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| SMILES | Cc1cc2c(C)c(CCC(=O)O)n(CCCCC(N)C(=O)O)c2cc1C |
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| InChI Key | OBKUSJCLCNAUQC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 3-methylindolesamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmonoalkylaminesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | 3-methylindolefatty acylcarbonyl groupn-alkylindolecarboxylic acidheterocyclic fatty acidindolefatty acidsubstituted pyrroleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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