| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:36 UTC |
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| Update Date | 2025-03-25 00:51:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184401 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N2O9 |
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| Molecular Mass | 412.1482 |
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| SMILES | NC(Cc1c[nH]c2ccccc12)C(=O)OCOC1OC(C(O)O)C(O)C(O)C1O |
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| InChI Key | KJOHLSANNFARAC-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 acid esters |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarbonyl hydratescarboxylic acid estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyrrolessecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarbonyl hydrateindolemonosaccharidesaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholalpha-amino acid esterazacycleheteroaromatic compoundindole or derivativesoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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