| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:09 UTC |
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| Update Date | 2025-03-21 18:38:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122706 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C18H20N2O3S |
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| Molecular Mass | 344.1195 |
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| SMILES | COc1ccc2nc(S(=O)(=O)Cc3ccc(C(C)C)cc3)[nH]c2c1 |
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| InChI Key | OMFZJANQHSHXQY-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 | benzimidazoles |
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| Subclass | sulfinylbenzimidazoles |
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| Direct Parent | sulfinylbenzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaromatic monoterpenoidsazacyclic compoundsbicyclic monoterpenoidscumenesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanessulfones |
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| Substituents | monoterpenoidphenol ethermonocyclic benzene moietyetherp-cymenealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundphenylpropaneorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundcumeneazoleazacycleheteroaromatic compoundsulfonylorganic oxygen compoundanisolehydrocarbon derivativebicyclic monoterpenoidbenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoidsulfone |
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