| Properties | Image |
|---|
| MNX_ID | MNXM39275 |
 |
| reference | lipidmapsM:LMPK12110199 |
| formula | C21H20O10 |
| global charge | 0 |
| mol weight | 432.381 |
| InChIKey | SGEWCQFRYRRZDC-UBLYIXNCSA-N |
| InChI | InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17+,18+,19-,21+/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O)=C2[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17+,18+,19-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:23])=[CH:4][CH:2]=[C:8]1[C:13]1=[CH:6][C:12](=[O:26])[C:15]2=[C:20]([C:16]([C@H:21]3[C@H:19]([OH:29])[C@@H:18]([OH:28])[C@@H:17]([OH:27])[C@@H:14]([CH2:7][OH:22])[O:31]3)=[C:11]([OH:25])[CH:5]=[C:10]2[OH:24])[O:30]1 |
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