| Properties | Image |
|---|
| MNX_ID | MNXM22595 |
 |
| reference | lipidmapsM:LMPK12110049 |
| formula | C21H20O10 |
| global charge | 0 |
| mol weight | 432.381 |
| InChIKey | HERGIJJZSPGDKP-ZOOKWPDTSA-N |
| InChI | InChI=1S/C21H20O10/c1-8-17(25)19(27)20(28)21(29-8)30-10-2-3-11-12(22)7-15(31-16(11)6-10)9-4-13(23)18(26)14(24)5-9/h2-8,17,19-21,23-28H,1H3/t8-,17-,19+,20+,21-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC2=CC3=C(C=C2)C(=O)C=C(C2=CC(O)=C(O)C(O)=C2)O3)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H20O10/c1-8-17(25)19(27)20(28)21(29-8)30-10-2-3-11-12(22)7-15(31-16(11)6-10)9-4-13(23)18(26)14(24)5-9/h2-8,17,19-21,23-28H,1H3/t8-,17-,19+,20+,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]1[C@H:17]([OH:25])[C@@H:19]([OH:27])[C@@H:20]([OH:28])[C@H:21]([O:30][C:10]2=[CH:6][C:16]3=[C:11]([CH:3]=[CH:2]2)[C:12](=[O:22])[CH:7]=[C:15]([C:9]2=[CH:4][C:13]([OH:23])=[C:18]([OH:26])[C:14]([OH:24])=[CH:5]2)[O:31]3)[O:29]1 |
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