| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:36 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161501 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23N3O4 |
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| Molecular Mass | 333.1689 |
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| SMILES | NCc1c(CC(=O)O)c2ccccc2n1CCCCC(N)C(=O)O |
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| InChI Key | MZFWYCXNGQNDDO-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 | amino 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 | fatty 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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