9-cis-violaxanthin

Properties Image MNX_ID MNXM2798 reference chebi:35305 formula C40H56O4 global charge 0 mol weight 600.884 InChIKey SZCBXWMUOPQSOX-NLNQYMAJSA-N InChI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1 SMILES CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C MNX internals InChI (mnx) InChI=1/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1 SMILES (mnx) [CH3:1][C:29](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:30]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:32]([CH3:4])\[CH:22]=[CH:24]\[C@:40]12[C:36]([CH3:7])([CH3:8])[CH2:26][C@H:34]([OH:42])[CH2:28][C@@:38]1([CH3:10])[O:44]2)/[CH:17]=[CH:13]/[CH:19]=[C:31]([CH3:3])\[CH:21]=[CH:23]\[C@:39]12[C:35]([CH3:5])([CH3:6])[CH2:25][C@H:33]([OH:41])[CH2:27][C@@:37]1([CH3:9])[O:43]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 2