| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:31 UTC |
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| Update Date | 2025-03-25 00:51:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184181 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O4 |
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| Molecular Mass | 276.111 |
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| SMILES | NC(CC(=O)C(O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | ZEXJJZDECBUQCU-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 | acyloinsalpha-hydroxy ketonesamino fatty acidsazacyclic compoundsbenzenoidscarboxylic acidsfatty acylsgamma-keto acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsindolesmedium-chain keto acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolealpha-hydroxy ketoneketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativesamino fatty acidgamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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