fusicocca-1,10(14)-diene-3,8beta,16-triol

Properties Image MNX_ID MNXM148246 reference metacycM:CPD-16828 formula C20H32O3 global charge 0 mol weight 320.473 InChIKey QKFLTDNSUPOLAW-OFCQYXFWSA-N InChI InChI=1S/C20H32O3/c1-12(2)14-5-7-19(4)10-17-15(6-8-20(17,23)11-21)13(3)18(22)9-16(14)19/h10,12-13,15,18,21-23H,5-9,11H2,1-4H3/b17-10+/t13-,15+,18?,19-,20?/m1/s1 SMILES CC(C)C1=C2CC(O)[C@H](C)[C@@H]3CCC(O)(CO)/C3=C/[C@@]2(C)CC1 MNX internals InChI (mnx) InChI=1/C20H32O3/c1-12(2)14-5-7-19(4)10-17-15(6-8-20(17,23)11-21)13(3)18(22)9-16(14)19/h10,12-13,15,18,21-23H,5-9,11H2,1-4H3/b17-10+/t13-,15+,18?,19-,20?/m1/s1 SMILES (mnx) [CH3:1][CH:12]([CH3:2])[C:14]1=[C:16]2[CH2:9][CH:18]([OH:22])[C@H:13]([CH3:3])[C@@H:15]3[CH2:6][CH2:8][C:20]([CH2:11][OH:21])([OH:23])/[C:17]3=[CH:10]/[C@@:19]2([CH3:4])[CH2:7][CH2:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0