| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:21 UTC |
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| Update Date | 2025-03-25 00:59:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236380 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H21N2O2S+ |
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| Molecular Mass | 281.1318 |
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| SMILES | C[N+](C)(C)C(Cc1c[nH]c2ccccc12)S(C)(=O)=O |
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| InChI Key | IQCDEBWSOUDBPJ-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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganonitrogen compoundsorganopnictogen compoundspyrrolessulfonestetraalkylammonium salts |
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| Substituents | tetraalkylammonium saltazacycleindoleheteroaromatic compoundorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltsulfone |
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