| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:59 UTC |
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| Update Date | 2025-03-21 18:03:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045713 |
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| Frequency | 73.6 |
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| Structure | |
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| Chemical Formula | C19H22N2O3S |
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| Molecular Mass | 358.1351 |
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| SMILES | COc1ccc2c(C)c(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 |
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| InChI Key | HIXGFJCSYMCOEA-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 | 3-methylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesindolesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolessulfinyl compoundssulfoxides |
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| Substituents | 3-methylindolephenol etheretherpolyhalopyridinealkyl aryl etherorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundanisolepyrrolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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