compound 0098461

Properties Image MNX_ID MNXM1182278 reference envipathM:...878f849bfd56 formula C15H21O5 global charge -1 mol weight 281.328 InChIKey LZYBTUSSPOTSMY-UHFFFAOYSA-M InChI InChI=1S/C15H22O5/c1-9-5-10(14(2,3)4)13(19)11(6-9)15(20,8-16)7-12(17)18/h5-6,16,19-20H,7-8H2,1-4H3,(H,17,18)/p-1 SMILES CC1=CC(C(O)(CO)CC(=O)[O-])=C(O)C(C(C)(C)C)=C1 MNX internals InChI (mnx) InChI=1/C15H22O5/c1-9-5-10(14(2,3)4)13(19)11(6-9)15(20,8-16)7-12(17)18/h5-6,16,19-20H,7-8H2,1-4H3,(H,17,18)/t15? SMILES (mnx) [CH3:1][C:9]1=[CH:5][C:10]([C:14]([CH3:2])([CH3:3])[CH3:4])=[C:13]([OH:19])[C:11]([C:15]([CH2:7][C:12](=[O:17])[OH:18])([CH2:8][OH:16])[OH:20])=[CH:6]1

Parent-child relations graph

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