| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:15 UTC |
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| Update Date | 2025-03-21 18:34:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101134 |
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| Frequency | 27.0 |
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| Structure | |
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| Chemical Formula | C12H14N2O4S |
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| Molecular Mass | 282.0674 |
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| SMILES | CS(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | QVUHJFKDUNYLJQ-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 | aminosulfonyl compoundsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespyrroles |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidindoleorganosulfur compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleaminosulfonyl compoundheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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