| Properties | Image |
|---|
| MNX_ID | MNXM61216 |
 |
| reference | lipidmapsM:LMPK12050068 |
| formula | C22H20O6 |
| global charge | 0 |
| mol weight | 380.396 |
| InChIKey | HIMSTRVEHVBQCS-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H20O6/c1-13(2)6-7-25-14-4-5-15-19(8-14)26-11-17(22(15)23)16-9-20-21(28-12-27-20)10-18(16)24-3/h4-6,8-11H,7,12H2,1-3H3 |
| SMILES | COC1=CC2=C(C=C1C1=COC3=C(C=CC(OCC=C(C)C)=C3)C1=O)OCO2 |
MNX internals
| InChI (mnx) | InChI=1/C22H20O6/c1-13(2)6-7-25-14-4-5-15-19(8-14)26-11-17(22(15)23)16-9-20-21(28-12-27-20)10-18(16)24-3/h4-6,8-11H,7,12H2,1-3H3 |
 |
| SMILES (mnx) | [CH3:1][C:13]([CH3:2])=[CH:6][CH2:7][O:25][C:14]1=[CH:8][C:19]2=[C:15]([CH:5]=[CH:4]1)[C:22](=[O:23])[C:17]([C:16]1=[CH:9][C:20]3=[C:21]([CH:10]=[C:18]1[O:24][CH3:3])[O:28][CH2:12][O:27]3)=[CH:11][O:26]2 |
|