| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:50 UTC |
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| Update Date | 2025-03-25 00:54:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205433 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O5 |
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| Molecular Mass | 292.1059 |
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| SMILES | NC(Cc1cn(C(CO)C(=O)O)c2ccccc12)C(=O)O |
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| InChI Key | YBQVEDICOPRACU-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 | azacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesn-alkylindolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssubstituted pyrroles |
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| Substituents | carbonyl groupn-alkylindolecarboxylic acidindolesubstituted pyrrolebeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativeshydroxy acidorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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