| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:27 UTC |
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| Update Date | 2025-03-21 18:34:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099160 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C11H11NO2S |
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| Molecular Mass | 221.051 |
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| SMILES | O=C(O)CCSc1c[nH]c2ccccc12 |
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| InChI Key | VTEKIXUQAPZEIB-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 | alkylarylthioethersazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidindolealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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