| Properties | Image |
|---|
| MNX_ID | MNXM105842 |
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| reference | chebi:66085 |
| formula | C21H20O11 |
| global charge | 0 |
| mol weight | 448.38 |
| InChIKey | RKEQWDAUYLDNEU-DSTJRUDUSA-N |
| InChI | InChI=1S/C21H20O11/c22-6-11-14(25)17(28)19(30)21(32-11)13-15(26)12-9(24)5-10(7-1-3-8(23)4-2-7)31-20(12)18(29)16(13)27/h1-5,11,14,17,19,21-23,25-30H,6H2/t11-,14-,17+,19-,21+/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C=C2)OC2=C(O)C(O)=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O11/c22-6-11-14(25)17(28)19(30)21(32-11)13-15(26)12-9(24)5-10(7-1-3-8(23)4-2-7)31-20(12)18(29)16(13)27/h1-5,11,14,17,19,21-23,25-30H,6H2/t11-,14-,17+,19-,21+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:8]([OH:23])=[CH:4][CH:2]=[C:7]1[C:10]1=[CH:5][C:9](=[O:24])[C:12]2=[C:15]([OH:26])[C:13]([C@H:21]3[C@H:19]([OH:30])[C@@H:17]([OH:28])[C@H:14]([OH:25])[C@@H:11]([CH2:6][OH:22])[O:32]3)=[C:16]([OH:27])[C:18]([OH:29])=[C:20]2[O:31]1 |
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