| Properties | Image |
|---|
| MNX_ID | MNXM109207 |
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| reference | chebi:66207 |
| formula | C22H26O10 |
| global charge | 0 |
| mol weight | 450.44 |
| InChIKey | KCKBTWNNYSDHSE-MIUGBVLSSA-N |
| InChI | InChI=1S/C22H26O10/c23-11-17-19(28)20(29)21(32-18(27)10-13-3-6-15(25)16(26)9-13)22(31-17)30-8-7-12-1-4-14(24)5-2-12/h1-6,9,17,19-26,28-29H,7-8,10-11H2/t17-,19-,20+,21-,22-/m1/s1 |
| SMILES | O=C(CC1=CC=C(O)C(O)=C1)O[C@H]1[C@H](OCCC2=CC=C(O)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H26O10/c23-11-17-19(28)20(29)21(32-18(27)10-13-3-6-15(25)16(26)9-13)22(31-17)30-8-7-12-1-4-14(24)5-2-12/h1-6,9,17,19-26,28-29H,7-8,10-11H2/t17-,19-,20+,21-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:14]([OH:24])=[CH:5][CH:2]=[C:12]1[CH2:7][CH2:8][O:30][C@H:22]1[C@H:21]([O:32][C:18]([CH2:10][C:13]2=[CH:9][C:16]([OH:26])=[C:15]([OH:25])[CH:6]=[CH:3]2)=[O:27])[C@@H:20]([OH:29])[C@H:19]([OH:28])[C@@H:17]([CH2:11][OH:23])[O:31]1 |
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