| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:46 UTC |
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| Update Date | 2025-03-21 18:37:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114631 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C10H12N2O3S |
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| Molecular Mass | 240.0569 |
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| SMILES | NCCc1c[nH]c2ccc(S(=O)(=O)O)cc12 |
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| InChI Key | KYIYZOOKFLRRKS-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidspyrrolessulfonyls |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundazacycleindoleheteroaromatic compoundorganosulfonic acidorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesaromatic heteropolycyclic compoundorganic sulfonic acid or derivativespyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound |
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