| Properties | Image |
|---|
| MNX_ID | MNXM107607 |
 |
| reference | chebi:67879 |
| formula | C22H22O12 |
| global charge | 0 |
| mol weight | 478.406 |
| InChIKey | OKDKCOPTHQRHSA-VQIXPAPJSA-N |
| InChI | InChI=1S/C22H22O12/c23-6-10-17(28)16-13(27)4-9(32-22-20(31)19(30)18(29)15(7-24)34-22)5-14(16)33-21(10)8-1-2-11(25)12(26)3-8/h1-5,15,18-20,22-27,29-31H,6-7H2/t15-,18-,19+,20-,22-/m1/s1 |
| SMILES | O=C1C(CO)=C(C2=CC=C(O)C(O)=C2)OC2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C22H22O12/c23-6-10-17(28)16-13(27)4-9(32-22-20(31)19(30)18(29)15(7-24)34-22)5-14(16)33-21(10)8-1-2-11(25)12(26)3-8/h1-5,15,18-20,22-27,29-31H,6-7H2/t15-,18-,19+,20-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]([OH:25])=[C:12]([OH:26])[CH:3]=[C:8]1[C:21]1=[C:10]([CH2:6][OH:23])[C:17](=[O:28])[C:16]2=[C:13]([OH:27])[CH:4]=[C:9]([O:32][C@H:22]3[C@H:20]([OH:31])[C@@H:19]([OH:30])[C@H:18]([OH:29])[C@@H:15]([CH2:7][OH:24])[O:34]3)[CH:5]=[C:14]2[O:33]1 |
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