| Properties | Image |
|---|
| MNX_ID | MNXM29119 |
 |
| reference | lipidmapsM:LMPK12112510 |
| formula | C21H20O13 |
| global charge | 0 |
| mol weight | 480.378 |
| InChIKey | CMTYUVVBICETNN-FBRKSVJRSA-N |
| InChI | InChI=1S/C21H20O13/c22-5-11-15(28)17(30)18(31)21(33-11)34-20-16(29)12-9(25)3-6(23)4-10(12)32-19(20)7-1-2-8(24)14(27)13(7)26/h1-4,11,15,17-18,21-28,30-31H,5H2/t11-,15-,17+,18-,21+/m1/s1 |
| SMILES | O=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=C(O)C(O)=C(O)C=C2)OC2=C1C(O)=CC(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O13/c22-5-11-15(28)17(30)18(31)21(33-11)34-20-16(29)12-9(25)3-6(23)4-10(12)32-19(20)7-1-2-8(24)14(27)13(7)26/h1-4,11,15,17-18,21-28,30-31H,5H2/t11-,15-,17+,18-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:8]([OH:24])=[C:14]([OH:27])[C:13]([OH:26])=[C:7]1[C:19]1=[C:20]([O:34][C@H:21]2[C@H:18]([OH:31])[C@@H:17]([OH:30])[C@H:15]([OH:28])[C@@H:11]([CH2:5][OH:22])[O:33]2)[C:16](=[O:29])[C:12]2=[C:9]([OH:25])[CH:3]=[C:6]([OH:23])[CH:4]=[C:10]2[O:32]1 |
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