| Properties | Image |
|---|
| MNX_ID | MNXM108576 |
 |
| reference | chebi:70143 |
| formula | C21H24O11 |
| global charge | 0 |
| mol weight | 452.412 |
| InChIKey | MJKRDLMPYUENAA-OANOARFOSA-N |
| InChI | InChI=1S/C21H24O11/c22-11-1-3-13(4-2-11)31-20-19(28)18(27)17(26)14(32-20)10-30-16(25)6-8-21(29)7-5-12(23)9-15(21)24/h1-8,12,14,17-20,22-23,26-29H,9-10H2/b8-6+/t12?,14-,17-,18+,19-,20-,21?/m1/s1 |
| SMILES | O=C(/C=C/C1(O)C=CC(O)CC1=O)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H24O11/c22-11-1-3-13(4-2-11)31-20-19(28)18(27)17(26)14(32-20)10-30-16(25)6-8-21(29)7-5-12(23)9-15(21)24/h1-8,12,14,17-20,22-23,26-29H,9-10H2/b8-6+/t12?,14-,17-,18+,19-,20-,21?/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:13]([O:31][C@H:20]2[C@H:19]([OH:28])[C@@H:18]([OH:27])[C@H:17]([OH:26])[C@@H:14]([CH2:10][O:30][C:16](/[CH:6]=[CH:8]/[C:21]3([OH:29])[CH:7]=[CH:5][CH:12]([OH:23])[CH2:9][C:15]3=[O:24])=[O:25])[O:32]2)=[CH:4][CH:2]=[C:11]1[OH:22] |
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