| Properties | Image |
|---|
| MNX_ID | MNXM103985 |
 |
| reference | chebi:70011 |
| formula | C22H26O8 |
| global charge | 0 |
| mol weight | 418.442 |
| InChIKey | UIYAMSRXSZRILG-OPAMFIHVSA-N |
| InChI | InChI=1S/C22H26O8/c1-5-6-13-8-12-9-16(24)22(3,20(26)14(12)10-29-13)30-21(27)17-11(2)7-15(23)18(25)19(17)28-4/h7-8,16,23-25H,5-6,9-10H2,1-4H3/t16-,22-/m1/s1 |
| SMILES | CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)C1=C(OC)C(O)=C(O)C=C1C)[C@H](O)C2 |
MNX internals
| InChI (mnx) | InChI=1/C22H26O8/c1-5-6-13-8-12-9-16(24)22(3,20(26)14(12)10-29-13)30-21(27)17-11(2)7-15(23)18(25)19(17)28-4/h7-8,16,23-25H,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:26])[C@:22]([CH3:3])([O:30][C:21]([C:17]1=[C:19]([O:28][CH3:4])[C:18]([OH:25])=[C:15]([OH:23])[CH:7]=[C:11]1[CH3:2])=[O:27])[C@H:16]([OH:24])[CH2:9]2 |
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