| Properties | Image |
|---|
| MNX_ID | MNXM102885 |
 |
| reference | chebi:67927 |
| formula | C35H34O18 |
| global charge | 0 |
| mol weight | 742.639 |
| InChIKey | XNIDEUYQVRRKJJ-FZPNTLRJSA-N |
| InChI | InChI=1S/C35H34O18/c1-15(36)44-14-27-31(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(52-27)53-32-29(43)28-25(47-18(4)39)12-24(46-17(3)38)13-26(28)51-30(32)22-8-10-23(11-9-22)45-16(2)37/h8-13,27,31,33-35H,14H2,1-7H3/t27-,31-,33+,34-,35+/m1/s1 |
| SMILES | CC(=O)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(OC(C)=O)C=C3)OC3=CC(OC(C)=O)=CC(OC(C)=O)=C3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C35H34O18/c1-15(36)44-14-27-31(48-19(5)40)33(49-20(6)41)34(50-21(7)42)35(52-27)53-32-29(43)28-25(47-18(4)39)12-24(46-17(3)38)13-26(28)51-30(32)22-8-10-23(11-9-22)45-16(2)37/h8-13,27,31,33-35H,14H2,1-7H3/t27-,31-,33+,34-,35+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15](=[O:36])[O:44][CH2:14][C@@H:27]1[C@@H:31]([O:48][C:19]([CH3:5])=[O:40])[C@H:33]([O:49][C:20]([CH3:6])=[O:41])[C@@H:34]([O:50][C:21]([CH3:7])=[O:42])[C@H:35]([O:53][C:32]2=[C:30]([C:22]3=[CH:9][CH:11]=[C:23]([O:45][C:16]([CH3:2])=[O:37])[CH:10]=[CH:8]3)[O:51][C:26]3=[CH:13][C:24]([O:46][C:17]([CH3:3])=[O:38])=[CH:12][C:25]([O:47][C:18]([CH3:4])=[O:39])=[C:28]3[C:29]2=[O:43])[O:52]1 |
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