3beta-hydroxycostunolide

Properties Image MNX_ID MNXM148648 reference chebi:144560 formula C15H20O3 global charge 0 mol weight 248.322 InChIKey XQVSREKNQZKAKU-RZPRNJIHSA-N InChI InChI=1S/C15H20O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-5+,10-8+/t12-,13-,14+/m0/s1 SMILES C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@@H]12 MNX internals InChI (mnx) InChI=1/C15H20O3/c1-9-4-6-12-11(3)15(17)18-14(12)8-10(2)13(16)7-5-9/h5,8,12-14,16H,3-4,6-7H2,1-2H3/b9-5+,10-8+/t12-,13-,14+/m0/s1 SMILES (mnx) [CH3:1]/[C:9]1=[CH:5]\[CH2:7][C@H:13]([OH:16])/[C:10]([CH3:2])=[CH:8]/[C@@H:14]2[C@@H:12]([CH2:6][CH2:4]1)[C:11](=[CH2:3])[C:15](=[O:17])[O:18]2

Parent-child relations graph

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