| Properties | Image |
|---|
| MNX_ID | MNXM38609 |
 |
| reference | lipidmapsM:LMPK12050231 |
| formula | C21H20O11 |
| global charge | 0 |
| mol weight | 448.38 |
| InChIKey | PLNWXFMMLGXLNL-RDZBXBSQSA-N |
| InChI | InChI=1S/C21H20O11/c22-5-13-17(27)19(29)20(30)21(32-13)14-11(25)4-12-15(18(14)28)16(26)8(6-31-12)7-1-2-9(23)10(24)3-7/h1-4,6,13,17,19-25,27-30H,5H2/t13-,17-,19+,20-,21+/m1/s1 |
| SMILES | O=C1C(C2=CC=C(O)C(O)=C2)=COC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O11/c22-5-13-17(27)19(29)20(30)21(32-13)14-11(25)4-12-15(18(14)28)16(26)8(6-31-12)7-1-2-9(23)10(24)3-7/h1-4,6,13,17,19-25,27-30H,5H2/t13-,17-,19+,20-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:9]([OH:23])=[C:10]([OH:24])[CH:3]=[C:7]1[C:8]1=[CH:6][O:31][C:12]2=[C:15]([C:16]1=[O:26])[C:18]([OH:28])=[C:14]([C@H:21]1[C@H:20]([OH:30])[C@@H:19]([OH:29])[C@H:17]([OH:27])[C@@H:13]([CH2:5][OH:22])[O:32]1)[C:11]([OH:25])=[CH:4]2 |
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