| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:46 UTC |
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| Update Date | 2025-03-25 00:50:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182536 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O4S |
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| Molecular Mass | 296.0831 |
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| SMILES | O=S(=O)(O)CCN=C(O)CCc1c[nH]c2ccccc12 |
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| InChI Key | QQJATRLONQNPEX-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 compoundsbenzenoidscarboximidic acidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspropargyl-type 1,3-dipolar organic compoundspyrrolessulfonyls |
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| Substituents | organosulfonic acid or derivativescarboximidic acidazacycleindoleheteroaromatic compoundorganosulfonic acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativespyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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