8-epihelenalin

Properties Image MNX_ID MNXM102223 reference chebi:69336 formula C15H18O4 global charge 0 mol weight 262.305 InChIKey ZVLOPMNVFLSSAA-GSNHZRAGSA-N InChI InChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10+,12-,13+,15+/m1/s1 SMILES C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@@H](O)[C@H]12 MNX internals InChI (mnx) InChI=1/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10+,12-,13+,15+/m1/s1 SMILES (mnx) [CH3:1][C@@H:7]1[CH2:6][C@H:10]2[C@@H:12]([C:8](=[CH2:2])[C:14](=[O:18])[O:19]2)[C@H:13]([OH:17])[C@@:15]2([CH3:3])[C@H:9]1[CH:4]=[CH:5][C:11]2=[O:16]

Parent-child relations graph

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