3beta-hydroxyparthenolide

Properties Image MNX_ID MNXM148649 reference chebi:144561 formula C15H20O4 global charge 0 mol weight 264.321 InChIKey BBXAUSVGMAQCDJ-RCOKYBRUSA-N InChI InChI=1S/C15H20O4/c1-8-4-6-10-9(2)14(17)18-12(10)13-15(3,19-13)11(16)7-5-8/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11-,12-,13+,15+/m0/s1 SMILES C=C1C(=O)O[C@@H]2[C@H]3O[C@]3(C)[C@@H](O)C/C=C(\C)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C15H20O4/c1-8-4-6-10-9(2)14(17)18-12(10)13-15(3,19-13)11(16)7-5-8/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11-,12-,13+,15+/m0/s1 SMILES (mnx) [CH3:1]/[C:8]1=[CH:5]\[CH2:7][C@H:11]([OH:16])[C@:15]2([CH3:3])[C@@H:13]([C@@H:12]3[C@@H:10]([CH2:6][CH2:4]1)[C:9](=[CH2:2])[C:14](=[O:17])[O:18]3)[O:19]2

Parent-child relations graph

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