delta-Carotene-1,2-epoxide

Properties Image MNX_ID MNXM124283 reference chebi:176036 formula C40H56O global charge 0 mol weight 552.887 InChIKey CGHSLDCVYVQRJG-URLQBFNESA-N InChI InChI=1S/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-26,28,37-38H,16,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17-,32-18+,33-21+,34-23-,35-24- SMILES CC1=CCCC(C)(C)C1/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)CCC1OC1(C)C MNX internals InChI (mnx) InChI=1/C40H56O/c1-31(19-13-21-33(3)22-15-24-35(5)27-29-38-40(9,10)41-38)17-11-12-18-32(2)20-14-23-34(4)26-28-37-36(6)25-16-30-39(37,7)8/h11-15,17-26,28,37-38H,16,27,29-30H2,1-10H3/b12-11+,19-13+,20-14+,22-15+,28-26+,31-17-,32-18+,33-21+,34-23-,35-24-/t37?,38? SMILES (mnx) [CH3:1][C:31](=[CH:17]/[CH:11]=[CH:12]/[CH:18]=[C:32]([CH3:2])/[CH:20]=[CH:14]/[CH:23]=[C:34]([CH3:4])\[CH:26]=[CH:28]\[CH:37]1[C:36]([CH3:6])=[CH:25][CH2:16][CH2:30][C:39]1([CH3:7])[CH3:8])/[CH:19]=[CH:13]/[CH:21]=[C:33]([CH3:3])/[CH:22]=[CH:15]/[CH:24]=[C:35](/[CH3:5])[CH2:27][CH2:29][CH:38]1[C:40]([CH3:9])([CH3:10])[O:41]1

Parent-child relations graph

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