| Properties | Image | Occurences in reactions |
MNX_ID | MNXM165534 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
1 |
|
formula | C22H31O5 |
charge | -1 |
mass | 375.2177 |
reference | biggM:CE6462 |
InChIKey | AYIWIGDPZXRNNR-ZBKSXKQCSA-M |
InChI | InChI=1S/C22H32O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-20,23-24H,2,5-6,11-13,16H2,1H3,(H,26,27)/p-1/b4-3-,9-7-,10-8-,15-14+/t17-,18+,19-,20?/m0/s1 |
SMILES | CC[C@H]1C(O)CC(=O)[C@H]1/C=C/[C@@H](O)C/C=C\C/C=C\C/C=C\CCC(=O)[O-] |
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