| Properties | Image |
|---|
| MNX_ID | MNXM106261 |
 |
| reference | chebi:66585 |
| formula | C20H26O4 |
| global charge | 0 |
| mol weight | 330.424 |
| InChIKey | SORYERHBQFTRIK-AQJYKDKHSA-N |
| InChI | InChI=1S/C20H26O4/c1-13-6-4-8-16(19(21)22)9-5-7-14(2)12-18-17(11-10-13)15(3)20(23)24-18/h6,9,12,17-18H,3-5,7-8,10-11H2,1-2H3,(H,21,22)/b13-6+,14-12+,16-9+/t17-,18-/m0/s1 |
| SMILES | C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C(=O)O)CC/C=C(\C)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C20H26O4/c1-13-6-4-8-16(19(21)22)9-5-7-14(2)12-18-17(11-10-13)15(3)20(23)24-18/h6,9,12,17-18H,3-5,7-8,10-11H2,1-2H3,(H,21,22)/b13-6+,14-12+,16-9+/t17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:13]1=[CH:6]\[CH2:4][CH2:8]/[C:16]([C:19](=[O:21])[OH:22])=[CH:9]\[CH2:5][CH2:7]/[C:14]([CH3:2])=[CH:12]/[C@H:18]2[C@@H:17]([CH2:11][CH2:10]1)[C:15](=[CH2:3])[C:20](=[O:23])[O:24]2 |
|