| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:37 UTC |
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| Update Date | 2025-03-21 18:40:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130922 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C19H22N2O4S |
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| Molecular Mass | 374.13 |
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| SMILES | COc1ccc2nc(S(=O)Cc3c(OC)cc(C)c(OC)c3C)[nH]c2c1 |
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| InChI Key | CQRZOJWKAZKVIH-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 sulfoxidesdimethoxybenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssulfinyl compoundssulfoxidesm-xylenes |
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| Substituents | phenol ethermonocyclic benzene moietyetherp-dimethoxybenzenealkyl aryl ethersulfinylbenzimidazoleorganosulfur compoundxylenedimethoxybenzeneorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazoleazacycleheteroaromatic compoundm-xylenemethoxybenzeneorganic oxygen compoundbenzyl sulfoxideanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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