| Properties | Image |
MNX_ID | MNXM54861 |
 |
reference | chebi:184588 |
formula | C26H28O14 |
global charge | 0 |
mol weight | 564.496 |
InChIKey | UXJMURXRQMFKJC-JEQMPJCPSA-N |
InChI | InChI=1S/C26H28O14/c27-9-26(35)10-38-25(23(26)34)37-8-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-7-14(19(18)30)11-1-3-12(28)4-2-11/h1-7,17,20-25,27-29,31-35H,8-10H2/t17-,20-,21+,22-,23+,24-,25-,26-/m1/s1 |
SMILES | O=C1C(C2=CC=C(O)C=C2)=COC2=CC(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)=CC(O)=C12 |
MNX internals
InChI (mnx) | InChI=1/C26H28O14/c27-9-26(35)10-38-25(23(26)34)37-8-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-7-14(19(18)30)11-1-3-12(28)4-2-11/h1-7,17,20-25,27-29,31-35H,8-10H2/t17-,20-,21+,22-,23+,24-,25-,26-/m1/s1 |
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SMILES (mnx) | [CH:1]1=[CH:3][C:12]([OH:28])=[CH:4][CH:2]=[C:11]1[C:14]1=[CH:7][O:36][C:16]2=[CH:6][C:13]([O:39][C@H:24]3[C@H:22]([OH:33])[C@@H:21]([OH:32])[C@H:20]([OH:31])[C@@H:17]([CH2:8][O:37][C@H:25]4[C@H:23]([OH:34])[C@:26]([CH2:9][OH:27])([OH:35])[CH2:10][O:38]4)[O:40]3)=[CH:5][C:15]([OH:29])=[C:18]2[C:19]1=[O:30] |
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