| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:29 UTC |
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| Update Date | 2025-03-25 00:47:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161243 |
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| Frequency | 0.5 |
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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 | NC(Cc1c[nH]c2cccc(OC3OC(CO)C(O)C(O)C3O)c12)C(=O)O |
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| InChI Key | QKMSPFQXVRIGLZ-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 | acetalsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersprimary alcoholspyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidindolemonosaccharidesaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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