Euglobal IVa

Properties Image MNX_ID MNXM125585 reference chebi:175628 formula C28H38O5 global charge 0 mol weight 454.607 InChIKey XJFLMCYKZVYATJ-PXNMLYILSA-N InChI InChI=1S/C28H38O5/c1-15(2)12-17-21-25(32)18(13-29)24(31)19(14-30)26(21)33-28(6)11-7-8-16(3)9-10-20-23(22(17)28)27(20,4)5/h8,13-15,17,20,22-23,31-32H,7,9-12H2,1-6H3/b16-8- SMILES C/C1=C/CCC2(C)OC3=C(C(O)=C(C=O)C(O)=C3C=O)C(CC(C)C)C2C2C(CC1)C2(C)C MNX internals InChI (mnx) InChI=1/C28H38O5/c1-15(2)12-17-21-25(32)18(13-29)24(31)19(14-30)26(21)33-28(6)11-7-8-16(3)9-10-20-23(22(17)28)27(20,4)5/h8,13-15,17,20,22-23,31-32H,7,9-12H2,1-6H3/b16-8-/t17?,20?,22?,23?,28? SMILES (mnx) [CH3:1][CH:15]([CH3:2])[CH2:12][CH:17]1[C:21]2=[C:25]([OH:32])[C:18]([CH:13]=[O:29])=[C:24]([OH:31])[C:19]([CH:14]=[O:30])=[C:26]2[O:33][C:28]2([CH3:6])[CH2:11][CH2:7]/[CH:8]=[C:16](/[CH3:3])[CH2:9][CH2:10][CH:20]3[CH:23]([CH:22]12)[C:27]3([CH3:4])[CH3:5]

Parent-child relations graph

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