glyasperin D

Properties Image MNX_ID MNXM105401 reference chebi:69084 formula C22H26O5 global charge 0 mol weight 370.445 InChIKey DDMAUIOCNQXFHL-AWEZNQCLSA-N InChI InChI=1S/C22H26O5/c1-13(2)5-7-17-20(25-3)11-21-18(22(17)26-4)9-14(12-27-21)16-8-6-15(23)10-19(16)24/h5-6,8,10-11,14,23-24H,7,9,12H2,1-4H3/t14-/m0/s1 SMILES COC1=CC2=C(C[C@H](C3=C(O)C=C(O)C=C3)CO2)C(OC)=C1CC=C(C)C MNX internals InChI (mnx) InChI=1/C22H26O5/c1-13(2)5-7-17-20(25-3)11-21-18(22(17)26-4)9-14(12-27-21)16-8-6-15(23)10-19(16)24/h5-6,8,10-11,14,23-24H,7,9,12H2,1-4H3/t14-/m0/s1 SMILES (mnx) [CH3:1][C:13]([CH3:2])=[CH:5][CH2:7][C:17]1=[C:22]([O:26][CH3:4])[C:18]2=[C:21]([CH:11]=[C:20]1[O:25][CH3:3])[O:27][CH2:12][C@@H:14]([C:16]1=[C:19]([OH:24])[CH:10]=[C:15]([OH:23])[CH:6]=[CH:8]1)[CH2:9]2

Parent-child relations graph

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