flavuxanthin

Properties Image MNX_ID MNXM164773 reference chebi:139515 formula C50H72O2 global charge 0 mol weight 705.124 InChIKey AYPYRCXQBMEHMB-YHYHROLUSA-N InChI InChI=1S/C50H72O2/c1-39(2)49(35-31-47(11)37-51)33-29-45(9)27-17-25-43(7)23-15-21-41(5)19-13-14-20-42(6)22-16-24-44(8)26-18-28-46(10)30-34-50(40(3)4)36-32-48(12)38-52/h13-28,31-32,49-52H,1,3,29-30,33-38H2,2,4-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,41-19+,42-20+,43-23+,44-24+,45-27+,46-28+,47-31+,48-32+ SMILES C=C(C)C(C/C=C(\C)CO)CC/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(\C)CO)C(=C)C MNX internals InChI (mnx) InChI=1/C50H72O2/c1-39(2)49(35-31-47(11)37-51)33-29-45(9)27-17-25-43(7)23-15-21-41(5)19-13-14-20-42(6)22-16-24-44(8)26-18-28-46(10)30-34-50(40(3)4)36-32-48(12)38-52/h13-28,31-32,49-52H,1,3,29-30,33-38H2,2,4-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,41-19+,42-20+,43-23+,44-24+,45-27+,46-28+,47-31+,48-32+/t49?,50? SMILES (mnx) [CH2:1]=[C:39]([CH3:2])[CH:49]([CH2:33][CH2:29]/[C:45]([CH3:9])=[CH:27]/[CH:17]=[CH:25]/[C:43]([CH3:7])=[CH:23]/[CH:15]=[CH:21]/[C:41]([CH3:5])=[CH:19]/[CH:13]=[CH:14]/[CH:20]=[C:42]([CH3:6])/[CH:22]=[CH:16]/[CH:24]=[C:44]([CH3:8])/[CH:26]=[CH:18]/[CH:28]=[C:46](\[CH3:10])[CH2:30][CH2:34][CH:50]([CH2:36]/[CH:32]=[C:48](\[CH3:12])[CH2:38][OH:52])[C:40](=[CH2:3])[CH3:4])[CH2:35]/[CH:31]=[C:47](\[CH3:11])[CH2:37][OH:51]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 1