| Properties | Image | Occurences in reactions |
MNX_ID | MNXM162636 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 3 |
in models (compartimentalized) |
8 |
|
formula | C20H27O4 |
charge | -1 |
mass | 331.19148 |
reference | biggM:CE7109 |
InChIKey | YEBHLCFHJVBPBN-MYSKJJLHSA-M |
InChI | InChI=1S/C20H28O4/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18-19(24-18)15-11-16-20(22)23/h3-10,13-14,17-19,21H,2,11-12,15-16H2,1H3,(H,22,23)/p-1/b6-4?,7-5?,8-3?,13-9?,14-10+/t17-,18+,19-/m0/s1 |
SMILES | CCC=CC[C@H](O)C=CC=CC=C/C=C/[C@H]1O[C@H]1CCCC(=O)[O-] |
|