| Properties | Image |
MNX_ID | MNXM27977 |
 |
reference | lipidmapsM:LMPK12113059 |
formula | C20H20O9 |
global charge | 0 |
mol weight | 404.371 |
InChIKey | ZUKFNEVURLRWAL-UHFFFAOYSA-N |
InChI | InChI=1S/C20H20O9/c1-24-11-7-12(25-2)10(21)6-9(11)18-20(28-5)17(23)15-13(29-18)8-14(26-3)16(22)19(15)27-4/h6-8,21-22H,1-5H3 |
SMILES | COC1=CC(OC)=C(C2=C(OC)C(=O)C3=C(C=C(OC)C(O)=C3OC)O2)C=C1O |
MNX internals
InChI (mnx) | InChI=1/C20H20O9/c1-24-11-7-12(25-2)10(21)6-9(11)18-20(28-5)17(23)15-13(29-18)8-14(26-3)16(22)19(15)27-4/h6-8,21-22H,1-5H3 |
 |
SMILES (mnx) | [CH3:1][O:24][C:11]1=[CH:7][C:12]([O:25][CH3:2])=[C:10]([OH:21])[CH:6]=[C:9]1[C:18]1=[C:20]([O:28][CH3:5])[C:17](=[O:23])[C:15]2=[C:19]([O:27][CH3:4])[C:16]([OH:22])=[C:14]([O:26][CH3:3])[CH:8]=[C:13]2[O:29]1 |
|