integrastatin A

Properties Image MNX_ID MNXM105747 reference chebi:66079 formula C20H20O9 global charge 0 mol weight 404.371 InChIKey LNYIJBSSELCSKA-UHFFFAOYSA-N InChI InChI=1S/C20H20O9/c1-19-12-8(7-21)5-10(26-3)15(23)17(12)28-20(2,29-19)13-9(18(19)25)6-11(27-4)14(22)16(13)24/h5-6,21-24H,7H2,1-4H3 SMILES COC1=CC2=C(C(O)=C1O)C1(C)OC3=C(O)C(OC)=CC(CO)=C3C(C)(O1)C2=O MNX internals InChI (mnx) InChI=1/C20H20O9/c1-19-12-8(7-21)5-10(26-3)15(23)17(12)28-20(2,29-19)13-9(18(19)25)6-11(27-4)14(22)16(13)24/h5-6,21-24H,7H2,1-4H3/t19?,20? SMILES (mnx) [CH3:1][C:19]12[C:12]3=[C:17]([C:15]([OH:23])=[C:10]([O:26][CH3:3])[CH:5]=[C:8]3[CH2:7][OH:21])[O:28][C:20]([CH3:2])([C:13]3=[C:9]([CH:6]=[C:11]([O:27][CH3:4])[C:14]([OH:22])=[C:16]3[OH:24])[C:18]1=[O:25])[O:29]2

Parent-child relations graph

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