| Properties | Image |
|---|
| MNX_ID | MNXM1128775 |
 |
| reference | chebi:167539 |
| formula | C20H20O11 |
| global charge | 0 |
| mol weight | 436.369 |
| InChIKey | UKSPRKDZNYSFRL-WNMLYAAVSA-N |
| InChI | InChI=1S/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15-,17+,18-,19-,20+/m1/s1 |
| SMILES | O=C1C2=C(C=C(O)C=C2O)O[C@H](C2=CC(O)=C(O)C=C2)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H20O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17-26,28H,6H2/t12-,15-,17+,18-,19-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:9]([OH:22])=[C:10]([OH:23])[CH:3]=[C:7]1[C@@H:18]1[C@H:19]([O:31][C@H:20]2[C@@H:17]([OH:28])[C@H:15]([OH:26])[C@H:12]([OH:25])[CH2:6][O:29]2)[C:16](=[O:27])[C:14]2=[C:11]([OH:24])[CH:4]=[C:8]([OH:21])[CH:5]=[C:13]2[O:30]1 |
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