| Properties | Image |
|---|
| MNX_ID | MNXM43117 |
 |
| reference | lipidmapsM:LMPK12112544 |
| formula | C22H22O11 |
| global charge | 0 |
| mol weight | 462.407 |
| InChIKey | FYSMTINDJSASRR-UFGFRKJLSA-N |
| InChI | InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-13(30-2)6-10(23)7-14(15)32-20(21)9-3-4-11(24)12(25)5-9/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1 |
| SMILES | COC1=CC(O)=CC2=C1C(=O)C(O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)=C(C1=CC(O)=C(O)C=C1)O2 |
MNX internals
| InChI (mnx) | InChI=1/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-13(30-2)6-10(23)7-14(15)32-20(21)9-3-4-11(24)12(25)5-9/h3-8,16,18-19,22-26,28-29H,1-2H3/t8-,16-,18+,19+,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]1[C@H:16]([OH:26])[C@@H:18]([OH:28])[C@@H:19]([OH:29])[C@H:22]([O:33][C:21]2=[C:20]([C:9]3=[CH:5][C:12]([OH:25])=[C:11]([OH:24])[CH:4]=[CH:3]3)[O:32][C:14]3=[CH:7][C:10]([OH:23])=[CH:6][C:13]([O:30][CH3:2])=[C:15]3[C:17]2=[O:27])[O:31]1 |
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