| Properties | Image |
|---|
| MNX_ID | MNXM29158 |
 |
| reference | lipidmapsM:LMPK12111090 |
| formula | C22H22O10 |
| global charge | 0 |
| mol weight | 446.408 |
| InChIKey | OEZOKUSEUYXERJ-IWLDQSELSA-N |
| InChI | InChI=1S/C22H22O10/c1-29-21-16-11(24)7-12(10-5-3-2-4-6-10)30-13(16)8-14(18(21)26)31-22-20(28)19(27)17(25)15(9-23)32-22/h2-8,15,17,19-20,22-23,25-28H,9H2,1H3/t15-,17-,19+,20-,22-/m1/s1 |
| SMILES | COC1=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=CC=C1)O2 |
MNX internals
| InChI (mnx) | InChI=1/C22H22O10/c1-29-21-16-11(24)7-12(10-5-3-2-4-6-10)30-13(16)8-14(18(21)26)31-22-20(28)19(27)17(25)15(9-23)32-22/h2-8,15,17,19-20,22-23,25-28H,9H2,1H3/t15-,17-,19+,20-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:29][C:21]1=[C:18]([OH:26])[C:14]([O:31][C@H:22]2[C@H:20]([OH:28])[C@@H:19]([OH:27])[C@H:17]([OH:25])[C@@H:15]([CH2:9][OH:23])[O:32]2)=[CH:8][C:13]2=[C:16]1[C:11](=[O:24])[CH:7]=[C:12]([C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[O:30]2 |
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