| Properties | Image |
|---|
| MNX_ID | MNXM161065 |
 |
| reference | chebi:75386 |
| formula | C37H38O18 |
| global charge | 0 |
| mol weight | 770.693 |
| InChIKey | AINGNBRUWGABST-OKLBKYPFSA-N |
| InChI | InChI=1S/C37H38O18/c1-49-22-9-15(10-23(50-2)29(22)43)3-8-26(42)53-25-14-51-37(34(48)31(25)45)55-36-33(47)30(44)24(13-38)54-35(36)28-19(41)12-21-27(32(28)46)18(40)11-20(52-21)16-4-6-17(39)7-5-16/h3-12,24-25,30-31,33-39,41,43-48H,13-14H2,1-2H3/b8-3+/t24-,25+,30-,31+,33+,34-,35+,36-,37+/m1/s1 |
| SMILES | COC1=CC(/C=C/C(=O)O[C@H]2CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3C3=C(O)C=C4OC(C5=CC=C(O)C=C5)=CC(=O)C4=C3O)[C@H](O)[C@H]2O)=CC(OC)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C37H38O18/c1-49-22-9-15(10-23(50-2)29(22)43)3-8-26(42)53-25-14-51-37(34(48)31(25)45)55-36-33(47)30(44)24(13-38)54-35(36)28-19(41)12-21-27(32(28)46)18(40)11-20(52-21)16-4-6-17(39)7-5-16/h3-12,24-25,30-31,33-39,41,43-48H,13-14H2,1-2H3/b8-3+/t24-,25+,30-,31+,33+,34-,35+,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:49][C:22]1=[C:29]([OH:43])[C:23]([O:50][CH3:2])=[CH:10][C:15](/[CH:3]=[CH:8]/[C:26](=[O:42])[O:53][C@H:25]2[CH2:14][O:51][C@@H:37]([O:55][C@@H:36]3[C@@H:33]([OH:47])[C@H:30]([OH:44])[C@@H:24]([CH2:13][OH:38])[O:54][C@H:35]3[C:28]3=[C:32]([OH:46])[C:27]4=[C:21]([CH:12]=[C:19]3[OH:41])[O:52][C:20]([C:16]3=[CH:5][CH:7]=[C:17]([OH:39])[CH:6]=[CH:4]3)=[CH:11][C:18]4=[O:40])[C@H:34]([OH:48])[C@H:31]2[OH:45])=[CH:9]1 |
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