| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:33 UTC |
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| Update Date | 2025-03-21 18:39:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123584 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C16H16N2O2S |
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| Molecular Mass | 300.0932 |
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| SMILES | COc1ccc2nc(S(=O)Cc3ccccc3C)[nH]c2c1 |
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| InChI Key | GPAOEZJNPNZRQR-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 ethersanisolesazacyclic compoundsbenzyl sulfoxidesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compoundssulfoxidestoluenes |
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| Substituents | phenol ethermonocyclic benzene moietyetheralkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazoleazacycleheteroaromatic compoundorganic oxygen compoundbenzyl sulfoxideanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneorganooxygen compound |
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