| Properties | Image |
|---|
| MNX_ID | MNXM38159 |
 |
| reference | lipidmapsM:LMPK12050236 |
| formula | C22H20O11 |
| global charge | 0 |
| mol weight | 460.391 |
| InChIKey | MWQQQDCTBFECSA-RECXWPGBSA-N |
| InChI | InChI=1S/C22H20O11/c23-6-16-19(26)20(27)21(28)22(33-16)32-10-4-12(24)17-15(5-10)29-7-11(18(17)25)9-1-2-13-14(3-9)31-8-30-13/h1-5,7,16,19-24,26-28H,6,8H2/t16-,19-,20+,21-,22-/m1/s1 |
| SMILES | O=C1C(C2=CC=C3OCOC3=C2)=COC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C22H20O11/c23-6-16-19(26)20(27)21(28)22(33-16)32-10-4-12(24)17-15(5-10)29-7-11(18(17)25)9-1-2-13-14(3-9)31-8-30-13/h1-5,7,16,19-24,26-28H,6,8H2/t16-,19-,20+,21-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:13]2=[C:14]([CH:3]=[C:9]1[C:11]1=[CH:7][O:29][C:15]3=[CH:5][C:10]([O:32][C@H:22]4[C@H:21]([OH:28])[C@@H:20]([OH:27])[C@H:19]([OH:26])[C@@H:16]([CH2:6][OH:23])[O:33]4)=[CH:4][C:12]([OH:24])=[C:17]3[C:18]1=[O:25])[O:31][CH2:8][O:30]2 |
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