| Properties | Image |
|---|
| MNX_ID | MNXM165252 |
 |
| reference | metacycM:CPD-19110 |
| formula | C21H24O11 |
| global charge | 0 |
| mol weight | 452.412 |
| InChIKey | ZZTOVZGFHZQEAT-NJOLZHPTSA-N |
| InChI | InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16-,17-,18+,19-,20-,21-/m1/s1 |
| SMILES | OC[C@H]1O[C@@H](OC2=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3O)=CC=C2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-3-8(1-2-11(15)24)20-13(26)6-10-12(25)4-9(23)5-14(10)30-20/h1-5,13,16-29H,6-7H2/t13-,16-,17-,18+,19-,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]([OH:24])=[C:15]([O:31][C@H:21]2[C@H:19]([OH:29])[C@@H:18]([OH:28])[C@H:17]([OH:27])[C@@H:16]([CH2:7][OH:22])[O:32]2)[CH:3]=[C:8]1[C@@H:20]1[C@H:13]([OH:26])[CH2:6][C:10]2=[C:12]([OH:25])[CH:4]=[C:9]([OH:23])[CH:5]=[C:14]2[O:30]1 |
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