| Properties | Image |
|---|
| MNX_ID | MNXM107602 |
 |
| reference | chebi:67874 |
| formula | C33H40O17 |
| global charge | 0 |
| mol weight | 708.666 |
| InChIKey | HTSBCGPVSFENKR-LMYGLBCJSA-N |
| InChI | InChI=1S/C33H40O17/c1-12(2)3-4-13-5-14(6-18(38)31(13)50-33-29(45)27(43)25(41)21(11-36)49-33)30-16(9-34)23(39)22-17(37)7-15(8-19(22)47-30)46-32-28(44)26(42)24(40)20(10-35)48-32/h3,5-8,20-21,24-29,32-38,40-45H,4,9-11H2,1-2H3/t20-,21-,24-,25-,26+,27+,28-,29-,32-,33+/m1/s1 |
| SMILES | CC(C)=CCC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=CC(C2=C(CO)C(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H40O17/c1-12(2)3-4-13-5-14(6-18(38)31(13)50-33-29(45)27(43)25(41)21(11-36)49-33)30-16(9-34)23(39)22-17(37)7-15(8-19(22)47-30)46-32-28(44)26(42)24(40)20(10-35)48-32/h3,5-8,20-21,24-29,32-38,40-45H,4,9-11H2,1-2H3/t20-,21-,24-,25-,26+,27+,28-,29-,32-,33+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12]([CH3:2])=[CH:3][CH2:4][C:13]1=[CH:5][C:14]([C:30]2=[C:16]([CH2:9][OH:34])[C:23](=[O:39])[C:22]3=[C:17]([OH:37])[CH:7]=[C:15]([O:46][C@H:32]4[C@H:28]([OH:44])[C@@H:26]([OH:42])[C@H:24]([OH:40])[C@@H:20]([CH2:10][OH:35])[O:48]4)[CH:8]=[C:19]3[O:47]2)=[CH:6][C:18]([OH:38])=[C:31]1[O:50][C@H:33]1[C@H:29]([OH:45])[C@@H:27]([OH:43])[C@H:25]([OH:41])[C@@H:21]([CH2:11][OH:36])[O:49]1 |
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