| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:10 UTC |
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| Update Date | 2025-03-21 18:35:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105828 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C17H22N2O8 |
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| Molecular Mass | 382.1376 |
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| SMILES | O=C(O)C(Cc1c[nH]c2ccccc12)N(O)C1OC(CO)C(O)C(O)C1O |
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| InChI Key | UWVSRHKYQZJLRU-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 acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesn-organohydroxylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidindolemonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativesn-organohydroxylamineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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