| Properties | Image |
|---|
| MNX_ID | MNXM103984 |
 |
| reference | chebi:70010 |
| formula | C22H26O7 |
| global charge | 0 |
| mol weight | 402.443 |
| InChIKey | BJMHMPAXPWFBRJ-XMSQKQJNSA-N |
| InChI | InChI=1S/C22H26O7/c1-5-6-15-8-13-9-18(24)22(3,20(25)16(13)11-28-15)29-21(26)19-12(2)7-14(23)10-17(19)27-4/h7-8,10,18,23-24H,5-6,9,11H2,1-4H3/t18-,22-/m1/s1 |
| SMILES | CCCC1=CC2=C(CO1)C(=O)[C@](C)(OC(=O)C1=C(OC)C=C(O)C=C1C)[C@H](O)C2 |
MNX internals
| InChI (mnx) | InChI=1/C22H26O7/c1-5-6-15-8-13-9-18(24)22(3,20(25)16(13)11-28-15)29-21(26)19-12(2)7-14(23)10-17(19)27-4/h7-8,10,18,23-24H,5-6,9,11H2,1-4H3/t18-,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][C:15]1=[CH:8][C:13]2=[C:16]([CH2:11][O:28]1)[C:20](=[O:25])[C@:22]([CH3:3])([O:29][C:21]([C:19]1=[C:17]([O:27][CH3:4])[CH:10]=[C:14]([OH:23])[CH:7]=[C:12]1[CH3:2])=[O:26])[C@H:18]([OH:24])[CH2:9]2 |
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