3-hydroxytrichothecene

Properties Image MNX_ID MNXM164853 reference seedM:cpd34948 formula C15H22O3 global charge 0 mol weight 250.338 InChIKey ICJDGHMOMSQSLB-PYMBJFBLSA-N InChI InChI=1S/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-10(16)7-14(13,3)15(12)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3/t10-,11-,12-,13+,14-,15?/m1/s1 SMILES CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)(C34CO4)[C@@]2(C)CC1 MNX internals InChI (mnx) InChI=1/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-10(16)7-14(13,3)15(12)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3/t10-,11-,12-,13+,14-,15?/m1/s1 SMILES (mnx) [CH3:1][C:9]1=[CH:6][C@@H:11]2[C@:13]([CH3:2])([CH2:5][CH2:4]1)[C@@:14]1([CH3:3])[CH2:7][C@@H:10]([OH:16])[C@H:12]([C:15]13[CH2:8][O:17]3)[O:18]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0