| Properties | Image | Occurences in reactions |
MNX_ID | MNXM166024 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C27H44O6 |
charge | 0 |
mass | 464.31379 |
reference | sabiorkM:20786 |
InChIKey | KFLDRYHMXLUSFO-BEPQLRPISA-N |
InChI | InChI=1S/C27H44O6/c1-23(2,31)9-6-10-26(5,32)22-8-12-27(33)17-13-19(28)18-14-20(29)21(30)15-24(18,3)16(17)7-11-25(22,27)4/h13,16,18,20-22,29-33H,6-12,14-15H2,1-5H3/t16?,18-,20+,21-,22+,24+,25+,26?,27+/m0/s1 |
SMILES | CC(C)(O)CCCC(C)(O)[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C |
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