| Properties | Image | Occurences in reactions |
MNX_ID | MNXM167896 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C33H38N4O8 |
charge | 0 |
mass | 618.26896 |
reference | sabiorkM:28349 |
InChIKey | KGPPAFCLGBGMJY-UHFFFAOYSA-N |
InChI | InChI=1S/C33H38N4O8/c1-14-20(7-9-28(40)41)25(13-26-21(8-10-29(42)43)15(2)32(44)37-26)34-22(14)11-23-16(3)30(18(5)38)27(35-23)12-24-17(4)31(19(6)39)33(45)36-24/h11-13,18-19,34-35,38-39H,7-10H2,1-6H3,(H,37,44)(H,40,41)(H,42,43) |
SMILES | CC1=C(CCC(=O)O)C(=Cc2[nH]c(C=c3[nH]c(=CC4=NC(=O)C(C(C)O)=C4C)c(C(C)O)c3C)c(C)c2CCC(=O)O)NC1=O |
|