| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:05 UTC |
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| Update Date | 2025-03-21 18:39:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127236 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C12H16N2O3S |
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| Molecular Mass | 268.0882 |
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| SMILES | CN(CCc1c[nH]c2ccc(O)cc12)S(C)(=O)=O |
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| InChI Key | HXSNOPUZDVXKSD-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 benzenoidsaminosulfonyl compoundsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespyrroles |
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| Substituents | organosulfonic acid or derivativesazacycleaminosulfonyl compoundindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid amideorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativespyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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