| Properties | Image |
|---|
| MNX_ID | MNXM61341 |
 |
| reference | lipidmapsM:LMPK12113346 |
| formula | C21H20O9 |
| global charge | 0 |
| mol weight | 416.382 |
| InChIKey | GEYGCJJAQJKPEH-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H20O9/c1-23-11-7-6-10(8-12(11)24-2)15-18(26-4)14(22)13-16(25-3)20-21(29-9-28-20)19(27-5)17(13)30-15/h6-8H,9H2,1-5H3 |
| SMILES | COC1=C(OC)C=C(C2=C(OC)C(=O)C3=C(OC)C4=C(OCO4)C(OC)=C3O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O9/c1-23-11-7-6-10(8-12(11)24-2)15-18(26-4)14(22)13-16(25-3)20-21(29-9-28-20)19(27-5)17(13)30-15/h6-8H,9H2,1-5H3 |
 |
| SMILES (mnx) | [CH3:1][O:23][C:11]1=[C:12]([O:24][CH3:2])[CH:8]=[C:10]([C:15]2=[C:18]([O:26][CH3:4])[C:14](=[O:22])[C:13]3=[C:17]([C:19]([O:27][CH3:5])=[C:21]4[C:20](=[C:16]3[O:25][CH3:3])[O:28][CH2:9][O:29]4)[O:30]2)[CH:6]=[CH:7]1 |
|