| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:23 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223072 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O4 |
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| Molecular Mass | 304.1423 |
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| SMILES | NC(CCCCCn1c(C(=O)O)cc2ccccc21)C(=O)O |
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| InChI Key | SNYBZVXAJVLPNY-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 | alpha amino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmonoalkylaminesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativessubstituted pyrroles |
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| Substituents | fatty acylcarbonyl groupn-alkylindolecarboxylic acidheterocyclic fatty acidindolefatty acidalpha-amino acid or derivativessubstituted pyrrolecarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidindolecarboxylic acid derivativeazacycleheteroaromatic compoundamino fatty acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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