3,15-diacetylnivalenol

Properties Image MNX_ID MNXM164191 reference metacycM:CPD-18422 formula C19H24O9 global charge 0 mol weight 396.392 InChIKey VHWIMVHIFRZAOL-KAECGEELSA-N InChI InChI=1S/C19H24O9/c1-8-5-11-18(6-25-9(2)20,14(23)12(8)22)17(4)15(24)13(27-10(3)21)16(28-11)19(17)7-26-19/h5,11,13-16,23-24H,6-7H2,1-4H3/t11-,13-,14-,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@@H](O)[C@@]2(C)C12CO2 MNX internals InChI (mnx) InChI=1/C19H24O9/c1-8-5-11-18(6-25-9(2)20,14(23)12(8)22)17(4)15(24)13(27-10(3)21)16(28-11)19(17)7-26-19/h5,11,13-16,23-24H,6-7H2,1-4H3/t11-,13-,14-,15-,16-,17-,18-,19?/m1/s1 SMILES (mnx) [CH3:1][C:8]1=[CH:5][C@@H:11]2[C@:18]([CH2:6][O:25][C:9]([CH3:2])=[O:20])([C@H:14]([OH:23])[C:12]1=[O:22])[C@@:17]1([CH3:4])[C@H:15]([OH:24])[C@@H:13]([O:27][C:10]([CH3:3])=[O:21])[C@H:16]([C:19]13[CH2:7][O:26]3)[O:28]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0