| Properties | Image |
|---|
| MNX_ID | MNXM109123 |
 |
| reference | chebi:66537 |
| formula | C35H28O17 |
| global charge | 0 |
| mol weight | 720.592 |
| InChIKey | JAANJQNFIJSRTK-KYRPIRIWSA-N |
| InChI | InChI=1S/C35H28O17/c1-49-11-5-15(39)22-19(6-11)51-33-17(41)7-12(26(42)24(33)29(22)45)21-28(44)25(35-32(48)31(47)27(43)20(9-36)52-35)30(46)23-16(40)8-18(50-34(21)23)10-2-3-13(37)14(38)4-10/h2-8,20,27,31-32,35-39,41-44,46-48H,9H2,1H3/t20-,27-,31+,32-,35+/m1/s1 |
| SMILES | COC1=CC(O)=C2C(=O)C3=C(O)C(C4=C5OC(C6=CC(O)=C(O)C=C6)=CC(=O)C5=C(O)C([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C4O)=CC(O)=C3OC2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C35H28O17/c1-49-11-5-15(39)22-19(6-11)51-33-17(41)7-12(26(42)24(33)29(22)45)21-28(44)25(35-32(48)31(47)27(43)20(9-36)52-35)30(46)23-16(40)8-18(50-34(21)23)10-2-3-13(37)14(38)4-10/h2-8,20,27,31-32,35-39,41-44,46-48H,9H2,1H3/t20-,27-,31+,32-,35+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:49][C:11]1=[CH:5][C:15]([OH:39])=[C:22]2[C:19](=[CH:6]1)[O:51][C:33]1=[C:17]([OH:41])[CH:7]=[C:12]([C:21]3=[C:34]4[C:23](=[C:30]([OH:46])[C:25]([C@H:35]5[C@H:32]([OH:48])[C@@H:31]([OH:47])[C@H:27]([OH:43])[C@@H:20]([CH2:9][OH:36])[O:52]5)=[C:28]3[OH:44])[C:16](=[O:40])[CH:8]=[C:18]([C:10]3=[CH:4][C:14]([OH:38])=[C:13]([OH:37])[CH:3]=[CH:2]3)[O:50]4)[C:26]([OH:42])=[C:24]1[C:29]2=[O:45] |
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