| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:05 UTC |
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| Update Date | 2025-03-25 00:50:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183239 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13NO2S |
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| Molecular Mass | 283.0667 |
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| SMILES | O=C(O)c1ccccc1CSc1c[nH]c2ccccc12 |
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| InChI Key | CCCXSWGOUMCGTK-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkylarylthioethersazacyclic compoundsbenzoic acidsbenzoyl derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidindolebenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidsulfenyl compoundazacycleheteroaromatic compoundbenzoic acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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