1.0 2019-10-15 22:59:25 UTC 2019-10-15 22:59:25 UTC FDB093671 Bergaptol sulfate C11H6O7S 282.22 281.983423707 OS(=O)(=O)OC1=C2C=COC2=CC2=C1C=CC(=O)O2 InChI=1S/C11H6O7S/c12-10-2-1-6-9(17-10)5-8-7(3-4-16-8)11(6)18-19(13,14)15/h1-5H,(H,13,14,15) MUJRAVJMPBKDAH-UHFFFAOYSA-N belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Psoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Arylsulfates Benzenoids Benzofurans Furans Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organooxygen compounds Oxacyclic compounds Pyranones and derivatives Sulfuric acid monoesters 1-benzopyran Aromatic heteropolycyclic compound Arylsulfate Benzenoid Benzofuran Benzopyran Furan Heteroaromatic compound Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organooxygen compound Oxacycle Psoralen Pyran Pyranone Sulfate-ester Sulfuric acid ester Sulfuric acid monoester average_mass 282.22 ChemAxon mono_mass 281.983423707 ChemAxon smiles OS(=O)(=O)OC1=C2C=COC2=CC2=C1C=CC(=O)O2 ChemAxon formula C11H6O7S ChemAxon inchi InChI=1S/C11H6O7S/c12-10-2-1-6-9(17-10)5-8-7(3-4-16-8)11(6)18-19(13,14)15/h1-5H,(H,13,14,15) ChemAxon inchikey MUJRAVJMPBKDAH-UHFFFAOYSA-N ChemAxon Specdb::MsMs 2278337 Specdb::MsMs 2278338 Specdb::MsMs 2278339 Specdb::MsMs 3087457 Specdb::MsMs 3087458 Specdb::MsMs 3087459 Specdb::CMs 147343 FOBI:030525