Dorsmanin B

Properties Image MNX_ID MNXM51556 reference lipidmapsM:LMPK12140060 formula C25H28O4 global charge 0 mol weight 392.495 InChIKey NGPBIRAXWXZMOD-UHFFFAOYSA-N InChI InChI=1S/C25H28O4/c1-24(2)9-7-16-11-15(5-6-20(16)28-24)21-13-19(26)18-12-17-8-10-25(3,4)29-22(17)14-23(18)27-21/h5-6,11-12,14,21H,7-10,13H2,1-4H3 SMILES CC1(C)CCC2=CC(C3CC(=O)C4=C(C=C5OC(C)(C)CCC5=C4)O3)=CC=C2O1 MNX internals InChI (mnx) InChI=1/C25H28O4/c1-24(2)9-7-16-11-15(5-6-20(16)28-24)21-13-19(26)18-12-17-8-10-25(3,4)29-22(17)14-23(18)27-21/h5-6,11-12,14,21H,7-10,13H2,1-4H3/t21? SMILES (mnx) [CH3:1][C:24]1([CH3:2])[CH2:9][CH2:7][C:16]2=[C:20]([CH:6]=[CH:5][C:15]([CH:21]3[CH2:13][C:19](=[O:26])[C:18]4=[C:23]([CH:14]=[C:22]5[C:17](=[CH:12]4)[CH2:8][CH2:10][C:25]([CH3:3])([CH3:4])[O:29]5)[O:27]3)=[CH:11]2)[O:28]1

Parent-child relations graph

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