| Properties | Image |
|---|
| MNX_ID | MNXM38782 |
 |
| reference | lipidmapsM:LMPK12111215 |
| formula | C21H20O11 |
| global charge | 0 |
| mol weight | 448.38 |
| InChIKey | GAJQQBUFZGYKLV-IWECZTHTSA-N |
| InChI | InChI=1S/C21H20O11/c1-7-16(26)18(28)19(29)21(30-7)32-20-12(25)6-14-15(17(20)27)11(24)5-13(31-14)8-2-3-9(22)10(23)4-8/h2-7,16,18-19,21-23,25-29H,1H3/t7-,16-,18+,19+,21-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC2=C(O)C=C3OC(C4=CC(O)=C(O)C=C4)=CC(=O)C3=C2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H20O11/c1-7-16(26)18(28)19(29)21(30-7)32-20-12(25)6-14-15(17(20)27)11(24)5-13(31-14)8-2-3-9(22)10(23)4-8/h2-7,16,18-19,21-23,25-29H,1H3/t7-,16-,18+,19+,21-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]1[C@H:16]([OH:26])[C@@H:18]([OH:28])[C@@H:19]([OH:29])[C@H:21]([O:32][C:20]2=[C:17]([OH:27])[C:15]3=[C:14]([CH:6]=[C:12]2[OH:25])[O:31][C:13]([C:8]2=[CH:4][C:10]([OH:23])=[C:9]([OH:22])[CH:3]=[CH:2]2)=[CH:5][C:11]3=[O:24])[O:30]1 |
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