| Properties | Image |
|---|
| MNX_ID | MNXM1368649 |
 |
| reference | seedM:cpd33947 |
| formula | C35H34O16 |
| global charge | 0 |
| mol weight | 710.641 |
| InChIKey | QTJLFBJCQWCSCL-GRTHOZRISA-N |
| InChI | InChI=1S/C35H34O16/c36-18-6-1-16(2-7-18)3-10-27(41)46-15-26-29(43)30(44)33(51-34-31(45)28(42)23(40)14-47-34)35(50-26)49-25-13-21-22(39)11-20(38)12-24(21)48-32(25)17-4-8-19(37)9-5-17/h1-13,23,26,28-31,33-38,40,42-45H,14-15H2/b10-3+/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(=O)C3=C2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H34O16/c36-18-6-1-16(2-7-18)3-10-27(41)46-15-26-29(43)30(44)33(51-34-31(45)28(42)23(40)14-47-34)35(50-26)49-25-13-21-22(39)11-20(38)12-24(21)48-32(25)17-4-8-19(37)9-5-17/h1-13,23,26,28-31,33-38,40,42-45H,14-15H2/b10-3+/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:6][C:18]([OH:36])=[CH:7][CH:2]=[C:16]1/[CH:3]=[CH:10]/[C:27](=[O:41])[O:46][CH2:15][C@@H:26]1[C@@H:29]([OH:43])[C@H:30]([OH:44])[C@@H:33]([O:51][C@H:34]2[C@H:31]([OH:45])[C@@H:28]([OH:42])[C@H:23]([OH:40])[CH2:14][O:47]2)[C@H:35]([O:49][C:25]2=[C:32]([C:17]3=[CH:5][CH:9]=[C:19]([OH:37])[CH:8]=[CH:4]3)[O:48][C:24]3=[CH:12][C:20]([OH:38])=[CH:11][C:22](=[O:39])[C:21]3=[CH:13]2)[O:50]1 |
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