| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:10 UTC |
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| Update Date | 2025-03-25 01:00:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245197 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO3S |
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| Molecular Mass | 227.0616 |
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| SMILES | CN(C)S(=O)(=O)c1ccc2c(c1)CCO2 |
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| InChI Key | WOZCASXSBATLDQ-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 | coumarans |
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| Subclass | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compounds |
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| Substituents | organosulfonic acid or derivativesetheraminosulfonyl compoundalkyl aryl etherorganosulfur compoundorganosulfonic acid amideoxacycleorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcoumaranorganooxygen compound |
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