zealexin A2

Properties Image MNX_ID MNXM22481 reference metacycM:CPD-13570 formula C15H21O3 global charge -1 mol weight 249.33 InChIKey LADBPVPUWQYSSY-HNNXBMFYSA-M InChI InChI=1S/C15H22O3/c1-14(2)7-3-4-12(10-14)15(18)8-5-11(6-9-15)13(16)17/h4-5,18H,3,6-10H2,1-2H3,(H,16,17)/p-1/t15-/m0/s1 SMILES CC1(C)CCC=C([C@]2(O)CC=C(C(=O)[O-])CC2)C1 MNX internals InChI (mnx) InChI=1/C15H22O3/c1-14(2)7-3-4-12(10-14)15(18)8-5-11(6-9-15)13(16)17/h4-5,18H,3,6-10H2,1-2H3,(H,16,17)/t15-/m0/s1 SMILES (mnx) [CH3:1][C:14]1([CH3:2])[CH2:7][CH2:3][CH:4]=[C:12]([C@:15]2([OH:18])[CH2:8][CH:5]=[C:11]([C:13](=[O:16])[OH:17])[CH2:6][CH2:9]2)[CH2:10]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0