| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:48 UTC |
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| Update Date | 2025-03-21 18:04:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052338 |
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| Frequency | 62.2 |
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| Structure | |
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| Chemical Formula | C16H18N2O7 |
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| Molecular Mass | 350.1114 |
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| SMILES | NC(Cc1c(C2OC(C(=O)O)C(O)C2O)[nH]c2ccccc12)C(=O)O |
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| InChI Key | CKYGOSPPMQFUEQ-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 compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolessecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupethercarboxylic acidindolemonosaccharidedialkyl etherbeta-hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundindole or derivativeshydroxy acidoxacycleorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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