Eremopetasin sulfoxide

Properties Image MNX_ID MNXM1129070 reference chebi:169474 formula C19H26O4S global charge 0 mol weight 350.48 InChIKey PUIKQNUXMJPABH-XEJPENRXSA-N InChI InChI=1S/C19H26O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8-/t13-,15-,17+,19+,24?/m0/s1 SMILES C=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=C\S(C)=O)[C@@H]2C MNX internals InChI (mnx) InChI=1/C19H26O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8-/t13-,15-,17+,19+,24?/m0/s1 SMILES (mnx) [CH2:1]=[C:12]([CH3:2])[C@@H:15]1[CH2:11][C@:19]2([CH3:4])[C@@H:13]([CH3:3])[C@H:17]([O:23][C:18](/[CH:8]=[CH:9]\[S:24]([CH3:5])=[O:22])=[O:21])[CH2:7][CH2:6][C:14]2=[CH:10][C:16]1=[O:20]

Parent-child relations graph

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