3-O-methyl-isosecotanapartholide

Properties Image MNX_ID MNXM101866 reference chebi:66090 formula C16H20O5 global charge 0 mol weight 292.331 InChIKey YMBVLYVGHGDKHO-WHOFXGATSA-N InChI InChI=1S/C16H20O5/c1-8(17)5-6-11-9(2)16(19)21-15(11)14-10(3)13(20-4)7-12(14)18/h11,13,15H,2,5-7H2,1,3-4H3/t11-,13-,15-/m0/s1 SMILES C=C1C(=O)O[C@H](C2=C(C)[C@@H](OC)CC2=O)[C@H]1CCC(C)=O MNX internals InChI (mnx) InChI=1/C16H20O5/c1-8(17)5-6-11-9(2)16(19)21-15(11)14-10(3)13(20-4)7-12(14)18/h11,13,15H,2,5-7H2,1,3-4H3/t11-,13-,15-/m0/s1 SMILES (mnx) [CH3:1][C:8]([CH2:5][CH2:6][C@H:11]1[C:9](=[CH2:2])[C:16](=[O:19])[O:21][C@@H:15]1[C:14]1=[C:10]([CH3:3])[C@@H:13]([O:20][CH3:4])[CH2:7][C:12]1=[O:18])=[O:17]

Parent-child relations graph

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