| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:31 UTC |
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| Update Date | 2025-03-25 00:50:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181984 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N2O6 |
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| Molecular Mass | 334.1165 |
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| SMILES | O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C1OC(O)CC1O |
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| InChI Key | CIRKMSFTGNDWIP-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshemiacetalsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrrolessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidindolemonosaccharidesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalorganoheterocyclic compoundalcoholazacyclen-acyl-alpha-amino acidtetrahydrofuranheteroaromatic compoundindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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