| Properties | Image |
|---|
| MNX_ID | MNXM48716 |
 |
| reference | lipidmapsM:LMPK12050421 |
| formula | C25H28O13 |
| global charge | 0 |
| mol weight | 536.486 |
| InChIKey | WEXHTLNFLWZFMD-XRUSOFQVSA-N |
| InChI | InChI=1S/C25H28O13/c1-33-11-6-13(35-3)12(34-2)5-9(11)10-8-37-23-15(17(10)27)19(29)25(36-4)20(30)16(23)24-22(32)21(31)18(28)14(7-26)38-24/h5-6,8,14,18,21-22,24,26,28-32H,7H2,1-4H3/t14-,18-,21+,22-,24+/m1/s1 |
| SMILES | COC1=CC(OC)=C(OC)C=C1C1=COC2=C(C1=O)C(O)=C(OC)C(O)=C2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H28O13/c1-33-11-6-13(35-3)12(34-2)5-9(11)10-8-37-23-15(17(10)27)19(29)25(36-4)20(30)16(23)24-22(32)21(31)18(28)14(7-26)38-24/h5-6,8,14,18,21-22,24,26,28-32H,7H2,1-4H3/t14-,18-,21+,22-,24+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:33][C:11]1=[CH:6][C:13]([O:35][CH3:3])=[C:12]([O:34][CH3:2])[CH:5]=[C:9]1[C:10]1=[CH:8][O:37][C:23]2=[C:15]([C:17]1=[O:27])[C:19]([OH:29])=[C:25]([O:36][CH3:4])[C:20]([OH:30])=[C:16]2[C@H:24]1[C@H:22]([OH:32])[C@@H:21]([OH:31])[C@H:18]([OH:28])[C@@H:14]([CH2:7][OH:26])[O:38]1 |
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