Diatoxanthin 3,6-epoxide

Properties Image MNX_ID MNXM115136 reference lipidmapsM:LMPR01070718 formula C40H54O3 global charge 0 mol weight 582.869 InChIKey QOCBLJWPUILPNE-DGDOQUKGSA-N InChI InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/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/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 MNX internals InChI (mnx) InChI=1/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(43-40)28-39(40,10)42/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/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:23]=[CH:24]\[C@@:40]12[C:38]([CH3:8])([CH3:9])[CH2:27][C@@H:35]([CH2:28][C@@:39]1([CH3:10])[OH:42])[O:43]2)/[CH:17]=[CH:13]/[CH:19]=[C:31](\[CH3:3])[C:21]#[C:22][C:36]1=[C:33]([CH3:5])[CH2:25][C@@H:34]([OH:41])[CH2:26][C:37]1([CH3:6])[CH3:7]

Parent-child relations graph

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