| Properties | Image |
|---|
| MNX_ID | MNXM102642 |
 |
| reference | chebi:65391 |
| formula | C22H22O9 |
| global charge | 0 |
| mol weight | 430.409 |
| InChIKey | ANCSMTDJGPZSRP-VPLRVPSLSA-N |
| InChI | InChI=1S/C22H22O9/c1-8-6-11-14(21-19(28)18(27)20(29)22(31-21)30-9(2)23)10-4-3-5-12(24)15(10)17(26)16(11)13(25)7-8/h3-7,14,18-22,24-25,27-29H,1-2H3/t14-,18-,19-,20-,21+,22-/m1/s1 |
| SMILES | CC(=O)O[C@@H]1O[C@@H]([C@@H]2C3=CC=CC(O)=C3C(=O)C3=C2C=C(C)C=C3O)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H22O9/c1-8-6-11-14(21-19(28)18(27)20(29)22(31-21)30-9(2)23)10-4-3-5-12(24)15(10)17(26)16(11)13(25)7-8/h3-7,14,18-22,24-25,27-29H,1-2H3/t14-,18-,19-,20-,21+,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[CH:6][C:11]2=[C:16]([C:13]([OH:25])=[CH:7]1)[C:17](=[O:26])[C:15]1=[C:10]([CH:4]=[CH:3][CH:5]=[C:12]1[OH:24])[C@H:14]2[C@H:21]1[C@H:19]([OH:28])[C@@H:18]([OH:27])[C@@H:20]([OH:29])[C@H:22]([O:30][C:9]([CH3:2])=[O:23])[O:31]1 |
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