isopimaradiene-diol

Properties Image MNX_ID MNXM11922 reference metacycM:CPD-8727 formula C20H32O2 global charge 0 mol weight 304.474 InChIKey UKPKCEDWXTYXKB-AEOXZHQRSA-N InChI InChI=1S/C20H32O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-17,21-22H,1,6,8-13H2,2-4H3/t15-,16?,18-,19+,20+/m0/s1 SMILES C=C[C@@]1(C)CC[C@H]2C(=CCC3[C@](C)(C(O)O)CCC[C@@]32C)C1 MNX internals InChI (mnx) InChI=1/C20H32O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-17,21-22H,1,6,8-13H2,2-4H3/t15-,16?,18-,19+,20+/m0/s1 SMILES (mnx) [CH2:1]=[CH:5][C@@:18]1([CH3:2])[CH2:12][CH2:9][C@H:15]2[C:14](=[CH:7][CH2:8][CH:16]3[C@:19]2([CH3:3])[CH2:10][CH2:6][CH2:11][C@@:20]3([CH3:4])[CH:17]([OH:21])[OH:22])[CH2:13]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0