| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:02 UTC |
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| Update Date | 2025-03-25 00:49:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171688 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N2O7 |
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| Molecular Mass | 380.1584 |
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| SMILES | CN(C(Cc1c[nH]c2ccccc12)C(=O)O)C1C(O)OC(CO)C(O)C1O |
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| InChI Key | IPEZOWNXQATFBL-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 | 1,2-aminoalcoholsamino acidsaminosaccharidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspyrrolessecondary alcoholstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidindolemonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholtertiary amineorganoheterocyclic compoundalcoholamino saccharideazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic amineindole or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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