Bergaptol sulfate

Properties Image MNX_ID MNXM1129985 reference hmdb:HMDB0240482 formula C11H6O7S global charge 0 mol weight 282.229 InChIKey MUJRAVJMPBKDAH-UHFFFAOYSA-N 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) SMILES O=C1C=CC2=C(C=C3OC=CC3=C2OS(=O)(=O)O)O1 MNX internals InChI (mnx) InChI=1/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) SMILES (mnx) [CH:1]1=[CH:2][C:10](=[O:12])[O:17][C:9]2=[C:6]1[C:11]([O:18][S:19]([OH:13])(=[O:14])=[O:15])=[C:7]1[CH:3]=[CH:4][O:16][C:8]1=[CH:5]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0