| Properties | Image |
|---|
| MNX_ID | MNXM102650 |
 |
| reference | chebi:65399 |
| formula | C22H24O10 |
| global charge | 0 |
| mol weight | 448.424 |
| InChIKey | SORBFYNXEINFLY-ILHTXMRTSA-N |
| InChI | InChI=1S/C22H24O10/c1-8-6-11-15(13(25)7-8)16(26)14-10(4-3-5-12(14)24)22(11,30)20-18(28)17(27)19(29)21(32-20)31-9(2)23/h4,6-7,17-21,24-25,27-30H,3,5H2,1-2H3/t17-,18-,19-,20-,21-,22+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1O[C@@H]([C@]2(O)C3=CCCC(O)=C3C(=O)C3=C2C=C(C)C=C3O)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H24O10/c1-8-6-11-15(13(25)7-8)16(26)14-10(4-3-5-12(14)24)22(11,30)20-18(28)17(27)19(29)21(32-20)31-9(2)23/h4,6-7,17-21,24-25,27-30H,3,5H2,1-2H3/t17-,18-,19-,20-,21-,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[CH:6][C:11]2=[C:15]([C:13]([OH:25])=[CH:7]1)[C:16](=[O:26])[C:14]1=[C:12]([OH:24])[CH2:5][CH2:3][CH:4]=[C:10]1[C@:22]2([C@H:20]1[C@H:18]([OH:28])[C@@H:17]([OH:27])[C@@H:19]([OH:29])[C@H:21]([O:31][C:9]([CH3:2])=[O:23])[O:32]1)[OH:30] |
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