| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:38 UTC |
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| Update Date | 2025-03-21 18:39:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123793 |
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| Frequency | 20.8 |
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| Structure | |
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| Chemical Formula | C10H11NO4S |
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| Molecular Mass | 241.0409 |
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| SMILES | O=S(=O)(O)CCc1c[nH]c2ccc(O)cc12 |
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| InChI Key | UKBSFZHZGLWVDJ-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-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspyrrolessulfonyls |
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| Substituents | organosulfonic acid or derivativesazacycleindoleheteroaromatic compoundorganosulfonic acid1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativespyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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