| Properties | Image |
|---|
| MNX_ID | MNXM164165 |
 |
| reference | biggM:CE6248 |
| formula | C20H31O5 |
| global charge | -1 |
| mol weight | 351.463 |
| InChIKey | LZVJZZFRMLGREZ-YTYFACEESA-M |
| InChI | InChI=1S/C20H32O5/c21-16-10-6-2-1-3-8-12-18-19(25-18)15-14-17(22)11-7-4-5-9-13-20(23)24/h3-4,7-8,14-15,17-19,21-22H,1-2,5-6,9-13,16H2,(H,23,24)/p-1/t17-,18+,19?/m1/s1 |
| SMILES | O=C([O-])CCCC=CC[C@@H](O)C=CC1O[C@H]1CC=CCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C20H32O5/c21-16-10-6-2-1-3-8-12-18-19(25-18)15-14-17(22)11-7-4-5-9-13-20(23)24/h3-4,7-8,14-15,17-19,21-22H,1-2,5-6,9-13,16H2,(H,23,24)/b7-4?,8-3?,15-14?/t17-,18+,19?/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][CH2:6][CH2:10][CH2:16][OH:21])[CH:3]=[CH:8][CH2:12][C@H:18]1[CH:19]([CH:15]=[CH:14][C@@H:17]([CH2:11][CH:7]=[CH:4][CH2:5][CH2:9][CH2:13][C:20](=[O:23])[OH:24])[OH:22])[O:25]1 |
|