| Properties | Image |
|---|
| MNX_ID | MNXM38847 |
 |
| reference | lipidmapsM:LMPK12112832 |
| formula | C22H22O11 |
| global charge | 0 |
| mol weight | 462.407 |
| InChIKey | APJIFUZPDHNQGN-OELQVNMVSA-N |
| InChI | InChI=1S/C22H22O11/c1-8-14(25)17(28)18(29)22(31-8)33-21-16(27)13-12(7-11(24)20(30-2)15(13)26)32-19(21)9-3-5-10(23)6-4-9/h3-8,14,17-18,22-26,28-29H,1-2H3/t8-,14-,17+,18+,22-/m0/s1 |
| SMILES | COC1=C(O)C2=C(C=C1O)OC(C1=CC=C(O)C=C1)=C(O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C22H22O11/c1-8-14(25)17(28)18(29)22(31-8)33-21-16(27)13-12(7-11(24)20(30-2)15(13)26)32-19(21)9-3-5-10(23)6-4-9/h3-8,14,17-18,22-26,28-29H,1-2H3/t8-,14-,17+,18+,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]1[C@H:14]([OH:25])[C@@H:17]([OH:28])[C@@H:18]([OH:29])[C@H:22]([O:33][C:21]2=[C:19]([C:9]3=[CH:4][CH:6]=[C:10]([OH:23])[CH:5]=[CH:3]3)[O:32][C:12]3=[C:13]([C:15]([OH:26])=[C:20]([O:30][CH3:2])[C:11]([OH:24])=[CH:7]3)[C:16]2=[O:27])[O:31]1 |
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