| Properties | Image |
|---|
| MNX_ID | MNXM168664 |
 |
| reference | sabiorkM:24748 |
| formula | C20H22O9 |
| global charge | 0 |
| mol weight | 406.387 |
| InChIKey | XRHIELLXTVJOKM-NZYUWASCSA-N |
| InChI | InChI=1S/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14+,15+,16-,17+,20+/m0/s1 |
| SMILES | COC1=CC=C2C=C([C@H](C)C(=O)O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)C=CC2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H22O9/c1-9(10-3-4-12-8-13(27-2)6-5-11(12)7-10)19(26)29-20-16(23)14(21)15(22)17(28-20)18(24)25/h3-9,14-17,20-23H,1-2H3,(H,24,25)/t9-,14+,15+,16-,17+,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]([C:10]1=[CH:7][C:11]2=[CH:5][CH:6]=[C:13]([O:27][CH3:2])[CH:8]=[C:12]2[CH:4]=[CH:3]1)[C:19](=[O:26])[O:29][C@@H:20]1[C@@H:16]([OH:23])[C@H:14]([OH:21])[C@@H:15]([OH:22])[C@H:17]([C:18](=[O:24])[OH:25])[O:28]1 |
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