| Properties | Image |
|---|
| MNX_ID | MNXM26552 |
 |
| reference | lipidmapsM:LMPK12110038 |
| formula | C21H20O10 |
| global charge | 0 |
| mol weight | 432.381 |
| InChIKey | IVCZEZUJCMWBBR-XDWAVFMPSA-N |
| InChI | InChI=1S/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)29-10-2-3-11-13(24)7-15(30-16(11)6-10)9-1-4-12(23)14(25)5-9/h1-7,17-23,25-28H,8H2/t17-,18+,19+,20-,21-/m1/s1 |
| SMILES | O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C=CC(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)29-10-2-3-11-13(24)7-15(30-16(11)6-10)9-1-4-12(23)14(25)5-9/h1-7,17-23,25-28H,8H2/t17-,18+,19+,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:12]([OH:23])=[C:14]([OH:25])[CH:5]=[C:9]1[C:15]1=[CH:7][C:13](=[O:24])[C:11]2=[C:16]([CH:6]=[C:10]([O:29][C@H:21]3[C@H:20]([OH:28])[C@@H:19]([OH:27])[C@@H:18]([OH:26])[C@@H:17]([CH2:8][OH:22])[O:31]3)[CH:2]=[CH:3]2)[O:30]1 |
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