| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:41 UTC |
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| Update Date | 2025-03-25 00:51:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186929 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12N2O4S |
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| Molecular Mass | 256.0518 |
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| SMILES | NS(=O)(=O)c1ccc2c(c1)C(CC(=O)O)NC2 |
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| InChI Key | NTJVUIDCSYUPNV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isoindoles and derivatives |
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| Subclass | isoindoles |
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| Direct Parent | isoindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsaminosulfonyl compoundsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesisoindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonamides |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acid or derivativesamino acidorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideisoindolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsecondary aliphatic amineazacycleaminosulfonyl compoundisoindolesecondary aminemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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