| Properties | Image | Occurences in reactions |
MNX_ID | MNXM114012 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C37H48O8 |
charge | 0 |
mass | 620.33492 |
reference | chebi:70295 |
InChIKey | YYYXTPLPLGBZQD-CJLVFECKSA-N |
InChI | InChI=1S/C37H48O8/c1-9-10-11-15-27(39)29-31(41)25(30(40)24-17-18-36(6,7)45-33(24)29)20-26-32(42)28(23(5)38)35(44)37(8,34(26)43)19-16-22(4)14-12-13-21(2)3/h13,16-18,40-41,43-44H,9-12,14-15,19-20H2,1-8H3/b22-16+ |
SMILES | CCCCCC(=O)c1c(O)c(CC2=C(O)C(C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1OC(C)(C)C=C2 |
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