glyceollin I

Properties Image MNX_ID MNXM734168 reference chebi:16470 formula C20H18O5 global charge 0 mol weight 338.359 InChIKey YIFYYPKWOQSCRI-AZUAARDMSA-N InChI InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1 SMILES CC1(C)C=CC2=C(C=CC3=C2OC[C@@]2(O)C4=C(C=C(O)C=C4)O[C@@H]32)O1 MNX internals InChI (mnx) InChI=1/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1 SMILES (mnx) [CH3:1][C:19]1([CH3:2])[CH:8]=[CH:7][C:12]2=[C:17]3[C:13](=[CH:4][CH:6]=[C:15]2[O:25]1)[C@H:18]1[C@@:20]([OH:22])([CH2:10][O:23]3)[C:14]2=[C:16]([CH:9]=[C:11]([OH:21])[CH:3]=[CH:5]2)[O:24]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0