| Properties | Image |
|---|
| MNX_ID | MNXM1193334 |
 |
| reference | envipathM:...2c1ab6695a11 |
| formula | C22H37O6 |
| global charge | -1 |
| mol weight | 397.532 |
| InChIKey | VDDVGDTUVVETDR-BYSXGJHZSA-M |
| InChI | InChI=1S/C22H38O6/c1-2-3-8-16(15-23)13-17(24)11-12-19-18(20(25)14-21(19)26)9-6-4-5-7-10-22(27)28/h11-12,16-19,21,23-24,26H,2-10,13-15H2,1H3,(H,27,28)/p-1/b12-11+/t16-,17+,18+,19+,21+/m0/s1 |
| SMILES | CCCC[C@H](CO)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H38O6/c1-2-3-8-16(15-23)13-17(24)11-12-19-18(20(25)14-21(19)26)9-6-4-5-7-10-22(27)28/h11-12,16-19,21,23-24,26H,2-10,13-15H2,1H3,(H,27,28)/b12-11+/t16-,17+,18+,19+,21+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:8][C@@H:16]([CH2:13][C@@H:17](/[CH:11]=[CH:12]/[C@@H:19]1[C@@H:18]([CH2:9][CH2:6][CH2:4][CH2:5][CH2:7][CH2:10][C:22](=[O:27])[OH:28])[C:20](=[O:25])[CH2:14][C@H:21]1[OH:26])[OH:24])[CH2:15][OH:23] |
|