Anhydrorhodovibrin

Properties Image MNX_ID MNXM5620 reference chebi:80148 formula C41H58O global charge 0 mol weight 566.914 InChIKey OCDSWQXGIQUZCF-AGVJHCIFSA-N InChI InChI=1S/C41H58O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-22,24-32H,14,23,33H2,1-11H3/b13-12+,24-15+,25-16+,29-17+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+ SMILES COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C MNX internals InChI (mnx) InChI=1/C41H58O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-22,24-32H,14,23,33H2,1-11H3/b13-12+,24-15+,25-16+,29-17+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+ SMILES (mnx) [CH3:1][C:34]([CH3:2])=[CH:20][CH2:14][CH2:23]/[C:37]([CH3:5])=[CH:26]/[CH:17]=[CH:29]/[C:38]([CH3:6])=[CH:27]/[CH:15]=[CH:24]/[C:35]([CH3:3])=[CH:21]/[CH:12]=[CH:13]/[CH:22]=[C:36]([CH3:4])/[CH:25]=[CH:16]/[CH:28]=[C:39]([CH3:7])/[CH:30]=[CH:18]/[CH:31]=[C:40]([CH3:8])/[CH:32]=[CH:19]/[CH2:33][C:41]([CH3:9])([CH3:10])[O:42][CH3:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0