| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:13 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206286 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O4S |
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| Molecular Mass | 308.0831 |
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| SMILES | NC(CSCOC(=O)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | FJVLKHIXYAZAFC-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonothioacetalsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidindoleorganosulfur compoundmonothioacetalorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundazacycleheteroaromatic compoundindole or derivativesorganic oxygen compoundcysteine or derivativescarboxylic acid esterpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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