Ganoderic acid Mj

Properties Image MNX_ID MNXM125907 reference chebi:175999 formula C33H52O6 global charge 0 mol weight 544.773 InChIKey HOOKULHKMWTXDO-GRSHGNNSSA-N InChI InChI=1S/C33H52O6/c1-19(29(36)37)10-11-24(39-21(3)34)20(2)22-12-17-33(8)28-23(13-16-32(22,33)7)31(6)15-14-27(35)30(4,5)26(31)18-25(28)38-9/h10,20,22,24-27,35H,11-18H2,1-9H3,(H,36,37)/b19-10- SMILES COC1CC2C(C)(CCC(O)C2(C)C)C2=C1C1(C)CCC(C(C)C(C/C=C(/C)C(=O)O)OC(C)=O)C1(C)CC2 MNX internals InChI (mnx) InChI=1/C33H52O6/c1-19(29(36)37)10-11-24(39-21(3)34)20(2)22-12-17-33(8)28-23(13-16-32(22,33)7)31(6)15-14-27(35)30(4,5)26(31)18-25(28)38-9/h10,20,22,24-27,35H,11-18H2,1-9H3,(H,36,37)/b19-10-/t20?,22?,24?,25?,26?,27?,31?,32?,33? SMILES (mnx) [CH3:1]/[C:19](=[CH:10]/[CH2:11][CH:24]([CH:20]([CH3:2])[CH:22]1[CH2:12][CH2:17][C:33]2([CH3:8])[C:28]3=[C:23]([CH2:13][CH2:16][C:32]12[CH3:7])[C:31]1([CH3:6])[CH2:15][CH2:14][CH:27]([OH:35])[C:30]([CH3:4])([CH3:5])[CH:26]1[CH2:18][CH:25]3[O:38][CH3:9])[O:39][C:21]([CH3:3])=[O:34])[C:29](=[O:36])[OH:37]

Parent-child relations graph

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