12,13-epoxytrichothec-9-ene

Properties Image MNX_ID MNXM164053 reference metacycM:CPD-18428 formula C15H22O2 global charge 0 mol weight 234.339 InChIKey LZAJKCZTKKKZNT-HHHGZCDHSA-N InChI InChI=1S/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13+,14-,15?/m1/s1 SMILES CC1=C[C@H]2O[C@@H]3CC[C@@](C)(C34CO4)[C@@]2(C)CC1 MNX internals InChI (mnx) InChI=1/C15H22O2/c1-10-4-6-13(2)12(8-10)17-11-5-7-14(13,3)15(11)9-16-15/h8,11-12H,4-7,9H2,1-3H3/t11-,12-,13+,14-,15?/m1/s1 SMILES (mnx) [CH3:1][C:10]1=[CH:8][C@@H:12]2[C@:13]([CH3:2])([CH2:6][CH2:4]1)[C@@:14]1([CH3:3])[CH2:7][CH2:5][C@H:11]([C:15]13[CH2:9][O:16]3)[O:17]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0