| Properties | Image |
|---|
| MNX_ID | MNXM108390 |
 |
| reference | chebi:68876 |
| formula | C33H40O20 |
| global charge | 0 |
| mol weight | 756.663 |
| InChIKey | WLPJMCCYDZFCBL-PJRUTDBJSA-N |
| InChI | InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(47-9)49-12-6-15(37)18-16(7-12)50-28(11-3-4-13(35)14(36)5-11)29(22(18)41)52-33-30(25(44)21(40)17(8-34)51-33)53-32-27(46)24(43)20(39)10(2)48-32/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31-,32-,33-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H40O20/c1-9-19(38)23(42)26(45)31(47-9)49-12-6-15(37)18-16(7-12)50-28(11-3-4-13(35)14(36)5-11)29(22(18)41)52-33-30(25(44)21(40)17(8-34)51-33)53-32-27(46)24(43)20(39)10(2)48-32/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,21-,23+,24+,25-,26+,27+,30+,31-,32-,33-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]1[C@H:19]([OH:38])[C@@H:23]([OH:42])[C@@H:26]([OH:45])[C@H:31]([O:49][C:12]2=[CH:6][C:15]([OH:37])=[C:18]3[C:16](=[CH:7]2)[O:50][C:28]([C:11]2=[CH:5][C:14]([OH:36])=[C:13]([OH:35])[CH:4]=[CH:3]2)=[C:29]([O:52][C@H:33]2[C@H:30]([O:53][C@H:32]4[C@H:27]([OH:46])[C@H:24]([OH:43])[C@@H:20]([OH:39])[C@H:10]([CH3:2])[O:48]4)[C@@H:25]([OH:44])[C@@H:21]([OH:40])[C@@H:17]([CH2:8][OH:34])[O:51]2)[C:22]3=[O:41])[O:47]1 |
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