| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:16 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179113 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO2S |
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| Molecular Mass | 207.0354 |
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| SMILES | CSc1ccc2c(C(=O)O)c[nH]c2c1 |
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| InChI Key | OKSHLXOONYGZLE-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 | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrole carboxylic acidssulfenyl compoundsthiophenol ethersthiophenolsvinylogous amides |
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| Substituents | carboxylic acidpyrrole-3-carboxylic acid or derivativesindolealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidethiophenolaromatic heteropolycyclic compoundthiophenol etherorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundindolecarboxylic acid derivativevinylogous amidesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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