| Properties | Image |
|---|
| MNX_ID | MNXM103681 |
 |
| reference | chebi:68775 |
| formula | C23H26O7 |
| global charge | 0 |
| mol weight | 414.454 |
| InChIKey | PBKVAXUNUBEUPO-OSHWNDANSA-N |
| InChI | InChI=1S/C23H26O7/c1-11-6-8-15-9-7-12(2)19(29-15)20-18(25)21(26)23(5,30-20)16(22(27)28)17(24)14(4)10-13(11)3/h6-9,14,16,25-26H,10H2,1-5H3,(H,27,28)/b8-6+,13-11-,20-19- |
| SMILES | CC1=CC=C2/C=C/C(C)=C(/C)CC(C)C(=O)C(C(=O)O)C3(C)O/C(=C/1O2)C(O)=C3O |
MNX internals
| InChI (mnx) | InChI=1/C23H26O7/c1-11-6-8-15-9-7-12(2)19(29-15)20-18(25)21(26)23(5,30-20)16(22(27)28)17(24)14(4)10-13(11)3/h6-9,14,16,25-26H,10H2,1-5H3,(H,27,28)/b8-6+,13-11-,20-19-/t14?,16?,23? |
 |
| SMILES (mnx) | [CH3:1][C:11]1=[C:13](\[CH3:3])[CH2:10][CH:14]([CH3:4])[C:17](=[O:24])[CH:16]([C:22](=[O:27])[OH:28])[C:23]2([CH3:5])[C:21]([OH:26])=[C:18]([OH:25])/[C:20](=[C:19]3\[C:12]([CH3:2])=[CH:7][CH:9]=[C:15](/[CH:8]=[CH:6]/1)[O:29]3)[O:30]2 |
|