| Properties | Image |
| MNX_ID | MNXM734294 |
 |
| reference | biggM:CE2565 |
| formula | C20H31O3 |
| global charge | -1 |
| mol weight | 319.465 |
| InChIKey | JSFATNQSLKRBCI-IBGZPJMESA-M |
| InChI | InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/p-1/t19-/m0/s1 |
| SMILES | CCCCC[C@H](O)C=CC=CCC=CCC=CCCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4?,10-8?,11-9?,17-14?/t19-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:13][CH2:16][C@@H:19]([CH:17]=[CH:14][CH:11]=[CH:9][CH2:7][CH:5]=[CH:4][CH2:6][CH:8]=[CH:10][CH2:12][CH2:15][CH2:18][C:20](=[O:22])[OH:23])[OH:21] |
|