Protoleucomelone

Properties Image MNX_ID MNXM1129049 reference chebi:168891 formula C32H28O14 global charge 0 mol weight 636.562 InChIKey HPFJFTKHDYGPOR-UHFFFAOYSA-N InChI InChI=1S/C32H28O14/c1-15(33)40-24-11-8-22(9-12-24)27-29(43-18(4)36)31(45-20(6)38)28(32(46-21(7)39)30(27)44-19(5)37)23-10-13-25(41-16(2)34)26(14-23)42-17(3)35/h8-14H,1-7H3 SMILES CC(=O)OC1=CC=C(C2=C(OC(C)=O)C(OC(C)=O)=C(C3=CC(OC(C)=O)=C(OC(C)=O)C=C3)C(OC(C)=O)=C2OC(C)=O)C=C1 MNX internals InChI (mnx) InChI=1/C32H28O14/c1-15(33)40-24-11-8-22(9-12-24)27-29(43-18(4)36)31(45-20(6)38)28(32(46-21(7)39)30(27)44-19(5)37)23-10-13-25(41-16(2)34)26(14-23)42-17(3)35/h8-14H,1-7H3 SMILES (mnx) [CH3:1][C:15](=[O:33])[O:40][C:24]1=[CH:12][CH:9]=[C:22]([C:27]2=[C:29]([O:43][C:18]([CH3:4])=[O:36])[C:31]([O:45][C:20]([CH3:6])=[O:38])=[C:28]([C:23]3=[CH:14][C:26]([O:42][C:17]([CH3:3])=[O:35])=[C:25]([O:41][C:16]([CH3:2])=[O:34])[CH:13]=[CH:10]3)[C:32]([O:46][C:21]([CH3:7])=[O:39])=[C:30]2[O:44][C:19]([CH3:5])=[O:37])[CH:8]=[CH:11]1

Parent-child relations graph

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