zealexin A3

Properties Image MNX_ID MNXM22482 reference metacycM:CPD-13571 formula C15H21O3 global charge -1 mol weight 249.33 InChIKey FJYXXUMBAWFLEI-ZWNOBZJWSA-M InChI InChI=1S/C15H22O3/c1-15(2)9-3-4-12(13(15)16)10-5-7-11(8-6-10)14(17)18/h4,7,10,13,16H,3,5-6,8-9H2,1-2H3,(H,17,18)/p-1/t10-,13-/m1/s1 SMILES CC1(C)CCC=C([C@@H]2CC=C(C(=O)[O-])CC2)[C@H]1O MNX internals InChI (mnx) InChI=1/C15H22O3/c1-15(2)9-3-4-12(13(15)16)10-5-7-11(8-6-10)14(17)18/h4,7,10,13,16H,3,5-6,8-9H2,1-2H3,(H,17,18)/t10-,13-/m1/s1 SMILES (mnx) [CH3:1][C:15]1([CH3:2])[CH2:9][CH2:3][CH:4]=[C:12]([C@@H:10]2[CH2:5][CH:7]=[C:11]([C:14](=[O:17])[OH:18])[CH2:8][CH2:6]2)[C@H:13]1[OH:16]

Parent-child relations graph

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