5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside

Properties Image MNX_ID MNXM24333 reference lipidmapsM:LMPK12100035 formula C22H22O12 global charge 0 mol weight 478.406 InChIKey LKCRMORFQZVSHE-RECXWPGBSA-N InChI InChI=1S/C22H22O12/c1-31-8-2-14-18(10(5-17(27)32-14)9-4-12(25)13(26)6-11(9)24)15(3-8)33-22-21(30)20(29)19(28)16(7-23)34-22/h2-6,16,19-26,28-30H,7H2,1H3/t16-,19-,20+,21-,22-/m1/s1 SMILES COC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C(=C1)OC(=O)C=C2C1=C(O)C=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C22H22O12/c1-31-8-2-14-18(10(5-17(27)32-14)9-4-12(25)13(26)6-11(9)24)15(3-8)33-22-21(30)20(29)19(28)16(7-23)34-22/h2-6,16,19-26,28-30H,7H2,1H3/t16-,19-,20+,21-,22-/m1/s1 SMILES (mnx) [CH3:1][O:31][C:8]1=[CH:2][C:14]2=[C:18]([C:10]([C:9]3=[CH:4][C:12]([OH:25])=[C:13]([OH:26])[CH:6]=[C:11]3[OH:24])=[CH:5][C:17](=[O:27])[O:32]2)[C:15]([O:33][C@H:22]2[C@H:21]([OH:30])[C@@H:20]([OH:29])[C@H:19]([OH:28])[C@@H:16]([CH2:7][OH:23])[O:34]2)=[CH:3]1

Parent-child relations graph

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