| Properties | Image |
|---|
| MNX_ID | MNXM43079 |
 |
| reference | lipidmapsM:LMPK12112969 |
| formula | C28H32O17 |
| global charge | 0 |
| mol weight | 640.547 |
| InChIKey | LEJCFPWUWJJLKS-HZAIGYPQSA-N |
| InChI | InChI=1S/C28H32O17/c1-39-24-12(31)6-14-16(19(35)26(40-2)23(43-14)9-3-4-10(29)11(30)5-9)25(24)45-28-22(38)20(36)18(34)15(44-28)8-42-27-21(37)17(33)13(32)7-41-27/h3-6,13,15,17-18,20-22,27-34,36-38H,7-8H2,1-2H3/t13-,15+,17-,18+,20-,21+,22+,27-,28-/m0/s1 |
| SMILES | COC1=C(O)C=C2OC(C3=CC(O)=C(O)C=C3)=C(OC)C(=O)C2=C1O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H32O17/c1-39-24-12(31)6-14-16(19(35)26(40-2)23(43-14)9-3-4-10(29)11(30)5-9)25(24)45-28-22(38)20(36)18(34)15(44-28)8-42-27-21(37)17(33)13(32)7-41-27/h3-6,13,15,17-18,20-22,27-34,36-38H,7-8H2,1-2H3/t13-,15+,17-,18+,20-,21+,22+,27-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:39][C:24]1=[C:25]([O:45][C@H:28]2[C@H:22]([OH:38])[C@@H:20]([OH:36])[C@H:18]([OH:34])[C@@H:15]([CH2:8][O:42][C@H:27]3[C@H:21]([OH:37])[C@@H:17]([OH:33])[C@@H:13]([OH:32])[CH2:7][O:41]3)[O:44]2)[C:16]2=[C:14]([CH:6]=[C:12]1[OH:31])[O:43][C:23]([C:9]1=[CH:5][C:11]([OH:30])=[C:10]([OH:29])[CH:4]=[CH:3]1)=[C:26]([O:40][CH3:2])[C:19]2=[O:35] |
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