| Properties | Image |
|---|
| MNX_ID | MNXM156946 |
 |
| reference | chebi:75371 |
| formula | C37H38O18 |
| global charge | 0 |
| mol weight | 770.693 |
| InChIKey | UUWSFKIJEPJWBM-QJBYDKKXSA-N |
| InChI | InChI=1S/C37H38O18/c1-50-20-8-2-15(10-18(20)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-21(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24-,25?,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1 |
| SMILES | COC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C(=O)C=C(C5=CC=C(O)C=C5)O4)C(O)=C3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C37H38O18/c1-50-20-8-2-15(10-18(20)40)3-9-26(42)51-14-25-30(44)33(47)35(49)37(55-25)54-23-12-22-27(19(41)11-21(52-22)16-4-6-17(39)7-5-16)31(45)28(23)36-34(48)32(46)29(43)24(13-38)53-36/h2-12,24-25,29-30,32-40,43-49H,13-14H2,1H3/b9-3+/t24-,25?,29-,30-,32+,33+,34-,35-,36+,37?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:50][C:20]1=[C:18]([OH:40])[CH:10]=[C:15](/[CH:3]=[CH:9]/[C:26](=[O:42])[O:51][CH2:14][CH:25]2[C@@H:30]([OH:44])[C@H:33]([OH:47])[C@@H:35]([OH:49])[CH:37]([O:54][C:23]3=[CH:12][C:22]4=[C:27]([C:19](=[O:41])[CH:11]=[C:21]([C:16]5=[CH:5][CH:7]=[C:17]([OH:39])[CH:6]=[CH:4]5)[O:52]4)[C:31]([OH:45])=[C:28]3[C@H:36]3[C@H:34]([OH:48])[C@@H:32]([OH:46])[C@H:29]([OH:43])[C@@H:24]([CH2:13][OH:38])[O:53]3)[O:55]2)[CH:2]=[CH:8]1 |
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