| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:19 UTC |
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| Update Date | 2025-03-21 17:59:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022730 |
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| Frequency | 174.0 |
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| Structure | |
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| Chemical Formula | C16H20N2O7 |
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| Molecular Mass | 352.1271 |
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| SMILES | NC(Cc1c(C2OC(O)C(O)C(O)C2O)[nH]c2ccccc12)C(=O)O |
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| InChI Key | NOJOJAQGTDENLV-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 compoundsbenzenoidscarbonyl compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyrrolessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidindolemonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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