| Properties | Image |
|---|
| MNX_ID | MNXM54193 |
 |
| reference | lipidmapsM:LMPK12111634 |
| formula | C21H20O10 |
| global charge | 0 |
| mol weight | 432.381 |
| InChIKey | KITQZTHJDLCXMR-HMGRVEAOSA-N |
| InChI | InChI=1S/C21H20O10/c22-8-13-15(24)17(26)19(28)21(31-13)29-10-6-11(23)14-12(7-10)30-20(18(27)16(14)25)9-4-2-1-3-5-9/h1-7,13,15,17,19,21-24,26-28H,8H2/t13-,15-,17+,19-,21-/m1/s1 |
| SMILES | O=C1C(O)=C(C2=CC=CC=C2)OC2=C1C(O)=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/c22-8-13-15(24)17(26)19(28)21(31-13)29-10-6-11(23)14-12(7-10)30-20(18(27)16(14)25)9-4-2-1-3-5-9/h1-7,13,15,17,19,21-24,26-28H,8H2/t13-,15-,17+,19-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]([C:20]2=[C:18]([OH:27])[C:16](=[O:25])[C:14]3=[C:11]([OH:23])[CH:6]=[C:10]([O:29][C@H:21]4[C@H:19]([OH:28])[C@@H:17]([OH:26])[C@H:15]([OH:24])[C@@H:13]([CH2:8][OH:22])[O:31]4)[CH:7]=[C:12]3[O:30]2)[CH:5]=[CH:3]1 |
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