19'-Hexanoyloxymytiloxanthin

Properties Image MNX_ID MNXM116203 reference chebi:172805 formula C46H64O6 global charge 0 mol weight 713.012 InChIKey LIBOJHYHDLWKKI-ZOKYUFNTSA-N InChI InChI=1S/C46H64O6/c1-11-12-13-24-43(50)52-32-38(25-26-41-36(5)27-39(47)29-44(41,7)8)23-17-21-34(3)19-15-14-18-33(2)20-16-22-35(4)42(49)31-46(51)37(6)28-40(48)30-45(46,9)10/h14-23,37,39,47,51H,11-13,24,27-32H2,1-10H3/b15-14+,20-16-,21-17-,33-18+,34-19-,35-22+,38-23+ SMILES CCCCCC(=O)OC/C(C#CC1=C(C)CC(O)CC1(C)C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)CC1(O)C(C)CC(=O)CC1(C)C MNX internals InChI (mnx) InChI=1/C46H64O6/c1-11-12-13-24-43(50)52-32-38(25-26-41-36(5)27-39(47)29-44(41,7)8)23-17-21-34(3)19-15-14-18-33(2)20-16-22-35(4)42(49)31-46(51)37(6)28-40(48)30-45(46,9)10/h14-23,37,39,47,51H,11-13,24,27-32H2,1-10H3/b15-14+,20-16-,21-17-,33-18+,34-19-,35-22+,38-23+/t37?,39?,46? SMILES (mnx) [CH3:1][CH2:11][CH2:12][CH2:13][CH2:24][C:43](=[O:50])[O:52][CH2:32]/[C:38](=[CH:23]/[CH:17]=[CH:21]\[C:34]([CH3:3])=[CH:19]/[CH:15]=[CH:14]/[CH:18]=[C:33]([CH3:2])/[CH:20]=[CH:16]\[CH:22]=[C:35](/[CH3:4])[C:42]([CH2:31][C:46]1([OH:51])[CH:37]([CH3:6])[CH2:28][C:40](=[O:48])[CH2:30][C:45]1([CH3:9])[CH3:10])=[O:49])[C:25]#[C:26][C:41]1=[C:36]([CH3:5])[CH2:27][CH:39]([OH:47])[CH2:29][C:44]1([CH3:7])[CH3:8]

Parent-child relations graph

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