| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:21 UTC |
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| Update Date | 2025-03-21 18:38:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118484 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C16H16N2O3S |
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| Molecular Mass | 316.0882 |
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| SMILES | COc1c(C)cnc(CS(=O)c2nc3ccccc3o2)c1C |
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| InChI Key | TWEMZHKJAUWJJH-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 | benzoxazoles |
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| Subclass | benzoxazoles |
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| Direct Parent | benzoxazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolespolyhalopyridinessulfinyl compoundssulfoxides |
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| Substituents | etherpolyhalopyridineoxazolealkyl aryl etherorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazoleazacyclebenzoxazoleheteroaromatic compoundmethylpyridineoxacyclepyridineorganic oxygen compoundsulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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