| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:45 UTC |
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| Update Date | 2025-03-21 18:05:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054456 |
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| Frequency | 59.1 |
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| Structure | |
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| Chemical Formula | C17H22N2O7 |
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| Molecular Mass | 366.1427 |
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| SMILES | NC(Cc1c[nH]c2ccccc12)C(=O)OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | FNPKBZQNSIYOFC-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 acyl ester of carbohydrates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupindolemonosaccharidesaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundindole or derivativesoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolealpha-amino acyl ester of carbohydratesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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