Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:21:24 UTC |
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Update Date | 2025-03-21 18:37:03 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00113749 |
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Frequency | 23.3 |
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Structure | |
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Chemical Formula | C17H18N2O4S |
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Molecular Mass | 346.0987 |
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SMILES | COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)oc2c1 |
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InChI Key | BLASTUUMDLHASF-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 ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolespolyhalopyridinessulfinyl compoundssulfoxides |
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Substituents | phenol etheretherpolyhalopyridineoxazolealkyl aryl etherorganosulfur compoundorganic oxidesulfinyl compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineazoleazacyclebenzoxazoleheteroaromatic compoundmethylpyridineoxacyclepyridineorganic oxygen compoundanisolesulfoxidehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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