| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:02 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237927 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O6S |
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| Molecular Mass | 312.0416 |
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| SMILES | O=C(O)CN(CC(=O)O)S(=O)(=O)c1ccc2[nH]ccc2c1 |
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| InChI Key | RBTLWDNJKREZLS-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 acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganonitrogen 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 derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativespyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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