rel-(-)-(1S,4S,10R)-1,4-dihydroxycembra-2E,7E,11Z-trien-20,10-olide

Properties Image MNX_ID MNXM108480 reference chebi:68866 formula C20H30O4 global charge 0 mol weight 334.456 InChIKey BPBFBKOCADVWMK-QKWRVHMZSA-N InChI InChI=1S/C20H30O4/c1-14(2)20(23)9-7-16-13-17(24-18(16)21)12-15(3)6-5-8-19(4,22)10-11-20/h6,10-11,13-14,17,22-23H,5,7-9,12H2,1-4H3/b11-10+,15-6+/t17-,19+,20-/m1/s1 SMILES C/C1=C\CC[C@](C)(O)/C=C/[C@@](O)(C(C)C)CCC2=C[C@@H](C1)OC2=O MNX internals InChI (mnx) InChI=1/C20H30O4/c1-14(2)20(23)9-7-16-13-17(24-18(16)21)12-15(3)6-5-8-19(4,22)10-11-20/h6,10-11,13-14,17,22-23H,5,7-9,12H2,1-4H3/b11-10+,15-6+/t17-,19+,20-/m1/s1 SMILES (mnx) [CH3:1][CH:14]([CH3:2])[C@@:20]1([OH:23])[CH2:9][CH2:7][C:16]2=[CH:13][C@@H:17]([CH2:12]/[C:15]([CH3:3])=[CH:6]/[CH2:5][CH2:8][C@:19]([CH3:4])([OH:22])/[CH:10]=[CH:11]/1)[O:24][C:18]2=[O:21]

Parent-child relations graph

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