| Properties | Image |
|---|
| MNX_ID | MNXM42378 |
 |
| reference | lipidmapsM:LMPK12111011 |
| formula | C22H22O10 |
| global charge | 0 |
| mol weight | 446.408 |
| InChIKey | KRISWBIWIPUPNR-MIUGBVLSSA-N |
| InChI | InChI=1S/C22H22O10/c1-29-12-6-13(24)18-14(25)8-15(31-16(18)7-12)10-2-4-11(5-3-10)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
| SMILES | COC1=CC2=C(C(=O)C=C(C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)O2)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H22O10/c1-29-12-6-13(24)18-14(25)8-15(31-16(18)7-12)10-2-4-11(5-3-10)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-8,17,19-24,26-28H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:29][C:12]1=[CH:6][C:13]([OH:24])=[C:18]2[C:14](=[O:25])[CH:8]=[C:15]([C:10]3=[CH:3][CH:5]=[C:11]([O:30][C@H:22]4[C@H:21]([OH:28])[C@@H:20]([OH:27])[C@H:19]([OH:26])[C@@H:17]([CH2:9][OH:23])[O:32]4)[CH:4]=[CH:2]3)[O:31][C:16]2=[CH:7]1 |
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