(5R,5'R,6S,8'R)-Luteochrome

Properties Image MNX_ID MNXM115182 reference chebi:176086 formula C40H56O2 global charge 0 mol weight 568.886 InChIKey HSOIPJLINDKQOV-VCAYJPBHSA-N InChI InChI=1S/C40H56O2/c1-30(19-13-20-32(3)23-28-40-37(7,8)25-16-27-39(40,10)42-40)17-11-12-18-31(2)21-14-22-33(4)34-29-35-36(5,6)24-15-26-38(35,9)41-34/h11-14,17-23,28-29,34H,15-16,24-27H2,1-10H3/b12-11-,19-13+,21-14+,28-23-,30-17+,31-18+,32-20-,33-22- SMILES CC(/C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)C1C=C2C(C)(C)CCCC2(C)O1 MNX internals InChI (mnx) InChI=1/C40H56O2/c1-30(19-13-20-32(3)23-28-40-37(7,8)25-16-27-39(40,10)42-40)17-11-12-18-31(2)21-14-22-33(4)34-29-35-36(5,6)24-15-26-38(35,9)41-34/h11-14,17-23,28-29,34H,15-16,24-27H2,1-10H3/b12-11-,19-13+,21-14+,28-23-,30-17+,31-18+,32-20-,33-22-/t34?,38?,39?,40? SMILES (mnx) [CH3:1][C:30](=[CH:17]\[CH:11]=[CH:12]/[CH:18]=[C:31]([CH3:2])/[CH:21]=[CH:14]/[CH:22]=[C:33](/[CH3:4])[CH:34]1[CH:29]=[C:35]2[C:36]([CH3:5])([CH3:6])[CH2:24][CH2:15][CH2:26][C:38]2([CH3:9])[O:41]1)/[CH:19]=[CH:13]/[CH:20]=[C:32]([CH3:3])\[CH:23]=[CH:28]/[C:40]12[C:37]([CH3:7])([CH3:8])[CH2:25][CH2:16][CH2:27][C:39]1([CH3:10])[O:42]2

Parent-child relations graph

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