| Properties | Image |
|---|
| MNX_ID | MNXM102221 |
 |
| reference | chebi:70200 |
| formula | C26H30O14 |
| global charge | 0 |
| mol weight | 566.512 |
| InChIKey | XNXNAVGWFAPTIB-AGZCJXADSA-N |
| InChI | InChI=1S/C26H30O14/c27-7-16-20(33)21(34)23(36)26(40-16)39-15-6-12(30)17-11(29)5-14(9-1-3-10(28)4-2-9)38-24(17)18(15)25-22(35)19(32)13(31)8-37-25/h1-4,6,13-14,16,19-23,25-28,30-36H,5,7-8H2/t13-,14-,16+,19-,20+,21-,22+,23+,25-,26+/m0/s1 |
| SMILES | O=C1C[C@@H](C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C26H30O14/c27-7-16-20(33)21(34)23(36)26(40-16)39-15-6-12(30)17-11(29)5-14(9-1-3-10(28)4-2-9)38-24(17)18(15)25-22(35)19(32)13(31)8-37-25/h1-4,6,13-14,16,19-23,25-28,30-36H,5,7-8H2/t13-,14-,16+,19-,20+,21-,22+,23+,25-,26+/m0/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:10]([OH:28])=[CH:4][CH:2]=[C:9]1[C@@H:14]1[CH2:5][C:11](=[O:29])[C:17]2=[C:24]([C:18]([C@H:25]3[C@H:22]([OH:35])[C@@H:19]([OH:32])[C@@H:13]([OH:31])[CH2:8][O:37]3)=[C:15]([O:39][C@H:26]3[C@H:23]([OH:36])[C@@H:21]([OH:34])[C@H:20]([OH:33])[C@@H:16]([CH2:7][OH:27])[O:40]3)[CH:6]=[C:12]2[OH:30])[O:38]1 |
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