| Properties | Image |
|---|
| MNX_ID | MNXM39367 |
 |
| reference | lipidmapsM:LMPK12111351 |
| formula | C26H28O15 |
| global charge | 0 |
| mol weight | 580.495 |
| InChIKey | BZPUJYCWDJOTCS-YLQFFHJLSA-N |
| InChI | InChI=1S/C26H28O15/c27-7-16-19(33)21(35)22(36)25(40-16)41-24-18(32)13(31)8-37-26(24)39-15-6-12(30)17-11(29)5-14(38-23(17)20(15)34)9-1-3-10(28)4-2-9/h1-6,13,16,18-19,21-22,24-28,30-36H,7-8H2/t13-,16-,18+,19-,21+,22-,24-,25+,26+/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2O |
MNX internals
| InChI (mnx) | InChI=1/C26H28O15/c27-7-16-19(33)21(35)22(36)25(40-16)41-24-18(32)13(31)8-37-26(24)39-15-6-12(30)17-11(29)5-14(38-23(17)20(15)34)9-1-3-10(28)4-2-9/h1-6,13,16,18-19,21-22,24-28,30-36H,7-8H2/t13-,16-,18+,19-,21+,22-,24-,25+,26+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:10]([OH:28])=[CH:4][CH:2]=[C:9]1[C:14]1=[CH:5][C:11](=[O:29])[C:17]2=[C:12]([OH:30])[CH:6]=[C:15]([O:39][C@H:26]3[C@H:24]([O:41][C@H:25]4[C@H:22]([OH:36])[C@@H:21]([OH:35])[C@H:19]([OH:33])[C@@H:16]([CH2:7][OH:27])[O:40]4)[C@@H:18]([OH:32])[C@H:13]([OH:31])[CH2:8][O:37]3)[C:20]([OH:34])=[C:23]2[O:38]1 |
|