3,15-acetyldeoxynivalenol

Properties Image MNX_ID MNXM163176 reference metacycM:CPD-18418 formula C19H24O8 global charge 0 mol weight 380.393 InChIKey RANGFOQREJPKIH-ITXQSEJKSA-N InChI InChI=1S/C19H24O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-13,15-16,23H,6-8H2,1-4H3/t12-,13-,15-,16-,17-,18-,19?/m1/s1 SMILES CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)C12CO2 MNX internals InChI (mnx) InChI=1/C19H24O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-13,15-16,23H,6-8H2,1-4H3/t12-,13-,15-,16-,17-,18-,19?/m1/s1 SMILES (mnx) [CH3:1][C:9]1=[CH:5][C@@H:13]2[C@:18]([CH2:7][O:24][C:10]([CH3:2])=[O:20])([C@H:15]([OH:23])[C:14]1=[O:22])[C@@:17]1([CH3:4])[CH2:6][C@@H:12]([O:26][C:11]([CH3:3])=[O:21])[C@H:16]([C:19]13[CH2:8][O:25]3)[O:27]2

Parent-child relations graph

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