| Properties | Image | Occurences in reactions |
MNX_ID | MNXM148674 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 1 |
in models (compartimentalized) |
0 |
|
formula | C28H28N4O3 |
charge | 0 |
mass | 468.21614 |
reference | metacycM:CPD-16986 |
InChIKey | XTLQWSBGQKPGCF-DTCQQCFZSA-N |
InChI | InChI=1S/C28H28N4O3/c1-6-27(4,5)28-15-22-23-29-20-13-9-7-11-18(20)25(35)30(23)16(2)24(34)32(22)26(28)31(17(3)33)21-14-10-8-12-19(21)28/h6-14,16,22,26H,1,15H2,2-5H3/t16-,22+,26?,28-/m1/s1 |
SMILES | C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3C1N(C(C)=O)c1ccccc12 |
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