Phoenicoxanthin

Properties Image MNX_ID MNXM3530 reference chebi:80216 formula C40H52O3 global charge 0 mol weight 580.853 InChIKey OOUTWVMJGMVRQF-NWYYEFBESA-N InChI InChI=1S/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1 SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)CCC1=O MNX internals InChI (mnx) InChI=1/C40H52O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,37,42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t37-/m0/s1 SMILES (mnx) [CH3:1][C:28](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:29]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:31]([CH3:4])\[CH:22]=[CH:24]\[C:35]1=[C:33]([CH3:6])[C:38](=[O:43])[C@@H:37]([OH:42])[CH2:27][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:30]([CH3:3])/[CH:21]=[CH:23]/[C:34]1=[C:32]([CH3:5])[C:36](=[O:41])[CH2:25][CH2:26][C:39]1([CH3:7])[CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 17 in models (compartimentalized) 2