| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:28 UTC |
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| Update Date | 2025-03-25 00:46:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156852 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H11NO2S |
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| Molecular Mass | 269.051 |
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| SMILES | O=C(O)c1ccccc1Sc1c[nH]c2ccccc12 |
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| InChI Key | VYOVKKAMNYGUSA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | diarylthioethers |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativeso-sulfanylbenzoic acidsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | monocyclic benzene moietycarboxylic acidindolebenzoylcarboxylic acid derivativeorganic oxidethiophenolaromatic heteropolycyclic compoundo-sulfanylbenzoic acidthiophenol etherorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidorganoheterocyclic compounddiarylthioethervinylogous thioestersulfenyl compoundazacycleheteroaromatic compoundindole or derivativesbenzoic acid or derivativeso-sulfanylbenzoic acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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