| Properties | Image |
|---|
| MNX_ID | MNXM105618 |
 |
| reference | chebi:68134 |
| formula | C26H30O13 |
| global charge | 0 |
| mol weight | 550.513 |
| InChIKey | NCBLEDBCMRNNAV-NFZGRANLSA-N |
| InChI | InChI=1S/C26H30O13/c27-10-26(34)11-36-25(22(26)32)35-9-17-19(29)20(30)21(31)24(39-17)37-14-6-4-12(5-7-14)16-8-13-2-1-3-15(28)18(13)23(33)38-16/h1-7,16-17,19-22,24-25,27-32,34H,8-11H2/t16?,17-,19-,20+,21-,22+,24-,25-,26-/m1/s1 |
| SMILES | O=C1OC(C2=CC=C(O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C2)CC2=CC=CC(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C26H30O13/c27-10-26(34)11-36-25(22(26)32)35-9-17-19(29)20(30)21(31)24(39-17)37-14-6-4-12(5-7-14)16-8-13-2-1-3-15(28)18(13)23(33)38-16/h1-7,16-17,19-22,24-25,27-32,34H,8-11H2/t16?,17-,19-,20+,21-,22+,24-,25-,26-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:13]2=[C:18]([C:15]([OH:28])=[CH:3]1)[C:23](=[O:33])[O:38][CH:16]([C:12]1=[CH:5][CH:7]=[C:14]([O:37][C@H:24]3[C@H:21]([OH:31])[C@@H:20]([OH:30])[C@H:19]([OH:29])[C@@H:17]([CH2:9][O:35][C@H:25]4[C@H:22]([OH:32])[C@:26]([CH2:10][OH:27])([OH:34])[CH2:11][O:36]4)[O:39]3)[CH:6]=[CH:4]1)[CH2:8]2 |
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