| Properties | Image | Occurences in reactions |
MNX_ID | MNXM97325 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 3 |
in models (compartimentalized) |
0 |
|
formula | C35H60O4 |
charge | 0 |
mass | 544.44916 |
reference | metacycM:CPD-14524 |
InChIKey | UFPXRKFWJPZBAN-MLSRFAMJSA-N |
InChI | InChI=1S/C35H60O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h21-30,37-39H,8-20H2,1-7H3/t22?,23?,24?,25?,26-,27?,28?,29?,30+,32-,33-,34+,35+/m0/s1 |
SMILES | CC(CCC(O)[C@@H](O)[C@@H](O)C=O)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C |
|