| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:10 UTC |
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| Update Date | 2025-03-21 18:04:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00050868 |
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| Frequency | 64.4 |
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| Structure | |
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| Chemical Formula | C18H22N2O9 |
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| Molecular Mass | 410.1325 |
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| SMILES | O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | LHWQNZFTQBSFKE-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 compoundsbenzenoidscarbamate esterscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidindolemonosaccharidesaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholcarbonic acid derivativeazacycleheteroaromatic compoundindole or derivativescarbamic acid esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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