| Properties | Image |
|---|
| MNX_ID | MNXM164857 |
 |
| reference | metacycM:CPD-8068 |
| formula | C33H40O21 |
| global charge | 0 |
| mol weight | 772.662 |
| InChIKey | MGAFCXOXRHSKIA-GLDNMAPXSA-N |
| InChI | InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m0/s1 |
| SMILES | O=C1C(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:37])=[CH:4][CH:2]=[C:10]1[C:27]1=[C:28]([O:52][C@@H:32]2[C@@H:30]([O:54][C@@H:33]3[C@@H:29]([O:53][C@@H:31]4[C@@H:26]([OH:47])[C@H:23]([OH:44])[C@@H:19]([OH:40])[C@H:15]([CH2:7][OH:34])[O:49]4)[C@H:24]([OH:45])[C@@H:20]([OH:41])[C@H:17]([CH2:9][OH:36])[O:51]3)[C@H:25]([OH:46])[C@@H:21]([OH:42])[C@H:16]([CH2:8][OH:35])[O:50]2)[C:22](=[O:43])[C:18]2=[C:13]([OH:39])[CH:5]=[C:12]([OH:38])[CH:6]=[C:14]2[O:48]1 |
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