| Properties | Image |
|---|
| MNX_ID | MNXM48819 |
 |
| reference | lipidmapsM:LMPK12120445 |
| formula | C21H24O9 |
| global charge | 0 |
| mol weight | 420.414 |
| InChIKey | XDMZEVSBCIGCMT-YMQHIKHWSA-N |
| InChI | InChI=1S/C21H24O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-16-9-13(24)6-7-14(16)15(25)8-3-11-1-4-12(23)5-2-11/h1-2,4-7,9,17-24,26-28H,3,8,10H2/t17-,18-,19+,20-,21-/m1/s1 |
| SMILES | O=C(CCC1=CC=C(O)C=C1)C1=CC=C(O)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H24O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-16-9-13(24)6-7-14(16)15(25)8-3-11-1-4-12(23)5-2-11/h1-2,4-7,9,17-24,26-28H,3,8,10H2/t17-,18-,19+,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:12]([OH:23])=[CH:5][CH:2]=[C:11]1[CH2:3][CH2:8][C:15]([C:14]1=[C:16]([O:29][C@H:21]2[C@H:20]([OH:28])[C@@H:19]([OH:27])[C@H:18]([OH:26])[C@@H:17]([CH2:10][OH:22])[O:30]2)[CH:9]=[C:13]([OH:24])[CH:6]=[CH:7]1)=[O:25] |
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