| Properties | Image |
|---|
| MNX_ID | MNXM24149 |
 |
| reference | lipidmapsM:LMPK12110122 |
| formula | C21H20O11 |
| global charge | 0 |
| mol weight | 448.38 |
| InChIKey | YLCGMXKVTQXMCZ-CMWLGVBASA-N |
| InChI | InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)31-12-3-1-2-9(24)17(12)14-6-11(26)16-10(25)4-8(23)5-13(16)30-14/h1-6,15,18-25,27-29H,7H2/t15-,18-,19+,20-,21-/m1/s1 |
| SMILES | O=C1C=C(C2=C(O)C=CC=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC2=C1C(O)=CC(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)31-12-3-1-2-9(24)17(12)14-6-11(26)16-10(25)4-8(23)5-13(16)30-14/h1-6,15,18-25,27-29H,7H2/t15-,18-,19+,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:9]([OH:24])=[C:17]([C:14]2=[CH:6][C:11](=[O:26])[C:16]3=[C:10]([OH:25])[CH:4]=[C:8]([OH:23])[CH:5]=[C:13]3[O:30]2)[C:12]([O:31][C@H:21]2[C@H:20]([OH:29])[C@@H:19]([OH:28])[C@H:18]([OH:27])[C@@H:15]([CH2:7][OH:22])[O:32]2)=[CH:3]1 |
|