| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:53 UTC |
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| Update Date | 2025-03-21 18:36:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112482 |
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| Frequency | 23.6 |
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| Structure | |
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| Chemical Formula | C15H16N2O6 |
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| Molecular Mass | 320.1008 |
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| SMILES | NC(Cc1c(C2OC(=O)C(O)C2O)[nH]c2ccccc12)C(=O)O |
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| InChI Key | VMHMASBGHGKXKK-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 | 1,2-diolsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidindolemonosaccharidelactonesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundindole or derivativesgamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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