rhuscholide A

Properties Image MNX_ID MNXM108550 reference chebi:66306 formula C31H42O3 global charge 0 mol weight 462.674 InChIKey LPJLAXYRFCLYIG-HBKYZHKXSA-N InChI InChI=1S/C31H42O3/c1-21(2)11-8-12-23(5)13-9-14-24(6)15-10-16-25(7)17-18-26-19-27(32)20-28-29(22(3)4)31(33)34-30(26)28/h11,13,15,17,19-20,32H,8-10,12,14,16,18H2,1-7H3/b23-13+,24-15+,25-17+ SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(O)=CC2=C1OC(=O)C2=C(C)C MNX internals InChI (mnx) InChI=1/C31H42O3/c1-21(2)11-8-12-23(5)13-9-14-24(6)15-10-16-25(7)17-18-26-19-27(32)20-28-29(22(3)4)31(33)34-30(26)28/h11,13,15,17,19-20,32H,8-10,12,14,16,18H2,1-7H3/b23-13+,24-15+,25-17+ SMILES (mnx) [CH3:1][C:21]([CH3:2])=[CH:11][CH2:8][CH2:12]/[C:23]([CH3:5])=[CH:13]/[CH2:9][CH2:14]/[C:24]([CH3:6])=[CH:15]/[CH2:10][CH2:16]/[C:25]([CH3:7])=[CH:17]/[CH2:18][C:26]1=[CH:19][C:27]([OH:32])=[CH:20][C:28]2=[C:30]1[O:34][C:31](=[O:33])[C:29]2=[C:22]([CH3:3])[CH3:4]

Parent-child relations graph

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