Beta-Citraurin epoxide

Properties Image MNX_ID MNXM119716 reference chebi:189974 formula C30H40O3 global charge 0 mol weight 448.647 InChIKey TUSQPOXZYYVVMH-STNACPSUSA-N InChI InChI=1S/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-30-28(5,6)20-27(32)21-29(30,7)33-30/h8-19,22,27,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+ SMILES CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)/C=C/C12OC1(C)CC(O)CC2(C)C MNX internals InChI (mnx) InChI=1/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-30-28(5,6)20-27(32)21-29(30,7)33-30/h8-19,22,27,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+/t27?,29?,30? SMILES (mnx) [CH3:1][C:23](=[CH:12]\[CH:8]=[CH:9]\[CH:13]=[C:24]([CH3:2])\[CH:15]=[CH:11]\[CH:17]=[C:26](/[CH3:4])[CH:22]=[O:31])/[CH:14]=[CH:10]/[CH:16]=[C:25]([CH3:3])\[CH:18]=[CH:19]\[C:30]12[C:28]([CH3:5])([CH3:6])[CH2:20][CH:27]([OH:32])[CH2:21][C:29]1([CH3:7])[O:33]2

Parent-child relations graph

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