| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:05 UTC |
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| Update Date | 2025-03-21 18:05:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059996 |
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| Frequency | 57.6 |
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| Structure | |
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| Chemical Formula | C18H18N2O4S |
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| Molecular Mass | 358.0987 |
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| SMILES | COc1ccc2nc(S(=O)Cc3ccc(C(C)C(=O)O)cc3)[nH]c2c1 |
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| InChI Key | IWENSFOXARNXOK-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 compoundsbenzyl sulfoxidesbicyclic monoterpenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssulfinyl compoundssulfoxides |
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| Substituents | monoterpenoidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidp-cymenealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundcarboxylic acid derivativeorganic oxide2-phenylpropanoic-acidsulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazoleazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundbenzyl sulfoxideanisolesulfoxidehydrocarbon derivativebicyclic monoterpenoidbenzenoidorganic nitrogen compoundorganooxygen compoundaromatic monoterpenoid |
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