| Properties | Image |
|---|
| MNX_ID | MNXM103989 |
 |
| reference | chebi:70015 |
| formula | C22H26O8 |
| global charge | 0 |
| mol weight | 418.442 |
| InChIKey | YEZGTQVFNLLEEE-OPAMFIHVSA-N |
| InChI | InChI=1S/C22H26O8/c1-5-6-13-8-12-9-16(22(3,27)20(25)14(12)10-29-13)30-21(26)17-11(2)7-15(23)18(24)19(17)28-4/h7-8,16,23-24,27H,5-6,9-10H2,1-4H3/t16-,22-/m1/s1 |
| SMILES | CCCC1=CC2=C(CO1)C(=O)[C@](C)(O)[C@H](OC(=O)C1=C(OC)C(O)=C(O)C=C1C)C2 |
MNX internals
| InChI (mnx) | InChI=1/C22H26O8/c1-5-6-13-8-12-9-16(22(3,27)20(25)14(12)10-29-13)30-21(26)17-11(2)7-15(23)18(24)19(17)28-4/h7-8,16,23-24,27H,5-6,9-10H2,1-4H3/t16-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][C:13]1=[CH:8][C:12]2=[C:14]([CH2:10][O:29]1)[C:20](=[O:25])[C@:22]([CH3:3])([OH:27])[C@H:16]([O:30][C:21]([C:17]1=[C:19]([O:28][CH3:4])[C:18]([OH:24])=[C:15]([OH:23])[CH:7]=[C:11]1[CH3:2])=[O:26])[CH2:9]2 |
|