| Properties | Image |
|---|
| MNX_ID | MNXM108376 |
 |
| reference | chebi:66798 |
| formula | C39H50O21 |
| global charge | 0 |
| mol weight | 854.808 |
| InChIKey | RASVJEQOJWZGLV-BFXGSULESA-N |
| InChI | InChI=1S/C39H50O21/c1-13-4-16(54-37-33(51)30(48)27(45)22(10-40)58-37)7-19(25(13)43)20-8-17(55-38-34(52)31(49)28(46)23(11-41)59-38)6-15(3)36(20)57-21-9-18(5-14(2)26(21)44)56-39-35(53)32(50)29(47)24(12-42)60-39/h4-9,22-24,27-35,37-53H,10-12H2,1-3H3/t22-,23-,24-,27-,28-,29-,30+,31+,32+,33-,34-,35-,37-,38-,39-/m1/s1 |
| SMILES | CC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(OC2=C(C3=C(O)C(C)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2C)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C39H50O21/c1-13-4-16(54-37-33(51)30(48)27(45)22(10-40)58-37)7-19(25(13)43)20-8-17(55-38-34(52)31(49)28(46)23(11-41)59-38)6-15(3)36(20)57-21-9-18(5-14(2)26(21)44)56-39-35(53)32(50)29(47)24(12-42)60-39/h4-9,22-24,27-35,37-53H,10-12H2,1-3H3/t22-,23-,24-,27-,28-,29-,30+,31+,32+,33-,34-,35-,37-,38-,39-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[CH:4][C:16]([O:54][C@H:37]2[C@H:33]([OH:51])[C@@H:30]([OH:48])[C@H:27]([OH:45])[C@@H:22]([CH2:10][OH:40])[O:58]2)=[CH:7][C:19]([C:20]2=[C:36]([O:57][C:21]3=[C:26]([OH:44])[C:14]([CH3:2])=[CH:5][C:18]([O:56][C@H:39]4[C@H:35]([OH:53])[C@@H:32]([OH:50])[C@H:29]([OH:47])[C@@H:24]([CH2:12][OH:42])[O:60]4)=[CH:9]3)[C:15]([CH3:3])=[CH:6][C:17]([O:55][C@H:38]3[C@H:34]([OH:52])[C@@H:31]([OH:49])[C@H:28]([OH:46])[C@@H:23]([CH2:11][OH:41])[O:59]3)=[CH:8]2)=[C:25]1[OH:43] |
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