rel-(+)-(1S,4S,7R,10R)-1,4,7-trihydroxycembra-2E,8-(19),11Z-trien-20,10-olide

Properties Image MNX_ID MNXM108474 reference chebi:68871 formula C20H30O5 global charge 0 mol weight 350.455 InChIKey LOIIZBXZZSSECJ-CLUKBVHOSA-N InChI InChI=1S/C20H30O5/c1-13(2)20(24)8-5-15-12-16(25-18(15)22)11-14(3)17(21)6-7-19(4,23)9-10-20/h9-10,12-13,16-17,21,23-24H,3,5-8,11H2,1-2,4H3/b10-9+/t16-,17-,19+,20-/m1/s1 SMILES C=C1C[C@@H]2C=C(CC[C@](O)(C(C)C)/C=C/[C@@](C)(O)CC[C@H]1O)C(=O)O2 MNX internals InChI (mnx) InChI=1/C20H30O5/c1-13(2)20(24)8-5-15-12-16(25-18(15)22)11-14(3)17(21)6-7-19(4,23)9-10-20/h9-10,12-13,16-17,21,23-24H,3,5-8,11H2,1-2,4H3/b10-9+/t16-,17-,19+,20-/m1/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[C@@:20]1([OH:24])[CH2:8][CH2:5][C:15]2=[CH:12][C@@H:16]([CH2:11][C:14](=[CH2:3])[C@H:17]([OH:21])[CH2:6][CH2:7][C@:19]([CH3:4])([OH:23])/[CH:9]=[CH:10]/1)[O:25][C:18]2=[O:22]

Parent-child relations graph

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