| Properties | Image |
|---|
| MNX_ID | MNXM107605 |
 |
| reference | chebi:67877 |
| formula | C34H42O22 |
| global charge | 0 |
| mol weight | 802.688 |
| InChIKey | MGXHVYURWVASGT-JGKQFCEOSA-N |
| InChI | InChI=1S/C34H42O22/c35-6-12-21(41)20-14(40)4-11(50-34-31(27(47)24(44)19(9-38)55-34)56-33-29(49)26(46)23(43)18(8-37)54-33)5-16(20)51-30(12)10-1-2-15(13(39)3-10)52-32-28(48)25(45)22(42)17(7-36)53-32/h1-5,17-19,22-29,31-40,42-49H,6-9H2/t17-,18-,19-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1 |
| SMILES | O=C1C(CO)=C(C2=CC(O)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C34H42O22/c35-6-12-21(41)20-14(40)4-11(50-34-31(27(47)24(44)19(9-38)55-34)56-33-29(49)26(46)23(43)18(8-37)54-33)5-16(20)51-30(12)10-1-2-15(13(39)3-10)52-32-28(48)25(45)22(42)17(7-36)53-32/h1-5,17-19,22-29,31-40,42-49H,6-9H2/t17-,18-,19-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:15]([O:52][C@H:32]2[C@H:28]([OH:48])[C@@H:25]([OH:45])[C@H:22]([OH:42])[C@@H:17]([CH2:7][OH:36])[O:53]2)=[C:13]([OH:39])[CH:3]=[C:10]1[C:30]1=[C:12]([CH2:6][OH:35])[C:21](=[O:41])[C:20]2=[C:14]([OH:40])[CH:4]=[C:11]([O:50][C@H:34]3[C@H:31]([O:56][C@H:33]4[C@H:29]([OH:49])[C@@H:26]([OH:46])[C@H:23]([OH:43])[C@@H:18]([CH2:8][OH:37])[O:54]4)[C@@H:27]([OH:47])[C@H:24]([OH:44])[C@@H:19]([CH2:9][OH:38])[O:55]3)[CH:5]=[C:16]2[O:51]1 |
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