| Properties | Image |
|---|
| MNX_ID | MNXM102798 |
 |
| reference | chebi:69804 |
| formula | C34H44O19 |
| global charge | 0 |
| mol weight | 756.707 |
| InChIKey | IFKNAQLEQACEOH-YNQIJJLYSA-N |
| InChI | InChI=1S/C34H44O19/c35-12-23-27(44)28(45)29(46)33(49-23)53-31-30(51-25(43)6-3-15-1-4-17(37)19(39)9-15)24(13-36)50-34(32(31)52-26-11-21(41)22(42)14-48-26)47-8-7-16-2-5-18(38)20(40)10-16/h1-6,9-10,21-24,26-42,44-46H,7-8,11-14H2/b6-3+/t21-,22+,23-,24-,26+,27-,28+,29-,30-,31+,32-,33+,34-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC(O)=C(O)C=C1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2C[C@@H](O)[C@@H](O)CO2)[C@H](OCCC2=CC=C(O)C(O)=C2)O[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C34H44O19/c35-12-23-27(44)28(45)29(46)33(49-23)53-31-30(51-25(43)6-3-15-1-4-17(37)19(39)9-15)24(13-36)50-34(32(31)52-26-11-21(41)22(42)14-48-26)47-8-7-16-2-5-18(38)20(40)10-16/h1-6,9-10,21-24,26-42,44-46H,7-8,11-14H2/b6-3+/t21-,22+,23-,24-,26+,27-,28+,29-,30-,31+,32-,33+,34-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:17]([OH:37])=[C:19]([OH:39])[CH:9]=[C:15]1/[CH:3]=[CH:6]/[C:25](=[O:43])[O:51][C@@H:30]1[C@@H:24]([CH2:13][OH:36])[O:50][C@@H:34]([O:47][CH2:8][CH2:7][C:16]2=[CH:10][C:20]([OH:40])=[C:18]([OH:38])[CH:5]=[CH:2]2)[C@H:32]([O:52][C@H:26]2[CH2:11][C@@H:21]([OH:41])[C@@H:22]([OH:42])[CH2:14][O:48]2)[C@H:31]1[O:53][C@H:33]1[C@H:29]([OH:46])[C@@H:28]([OH:45])[C@H:27]([OH:44])[C@@H:23]([CH2:12][OH:35])[O:49]1 |
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