| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:52 UTC |
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| Update Date | 2025-03-21 18:37:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114867 |
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| Frequency | 23.0 |
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| Structure | |
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| Chemical Formula | C18H20N2O3S |
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| Molecular Mass | 344.1195 |
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| SMILES | COc1ccc2cc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 |
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| InChI Key | VMIFKIYYNIBKLC-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 | 2-halopyridinesalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrrolessulfinyl compoundssulfoxides |
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| Substituents | phenol etheretherindolepolyhalopyridinealkyl aryl etherorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundmethylpyridinepyridineorganic oxygen compoundanisolepyrrolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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