| Properties | Image |
|---|
| MNX_ID | MNXM168238 |
 |
| reference | sabiorkM:28326 |
| formula | C21H20O11 |
| global charge | 0 |
| mol weight | 448.38 |
| InChIKey | KBGKQZVCLWKUDQ-MKJMBMEGSA-N |
| InChI | InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21?/m1/s1 |
| SMILES | O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=CC(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21?/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:10]([OH:24])=[C:11]([OH:25])[CH:3]=[C:8]1[C:13]1=[CH:6][C:12](=[O:26])[C:17]2=[C:14]([CH:4]=[C:9]([OH:23])[CH:5]=[C:15]2[O:31][CH:21]2[C@H:20]([OH:29])[C@@H:19]([OH:28])[C@H:18]([OH:27])[C@@H:16]([CH2:7][OH:22])[O:32]2)[O:30]1 |
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