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prochaetoglobosin I
MNXM108220 is deprecated and here replaced by MNXM1100645
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1100645 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 6 |
in models (compartimentalized) |
0 |
|
formula | C32H38N2O2 |
charge | 0 |
mass | 482.29333 |
reference | metacycM:CPD-17428 |
InChIKey | PAFRQNXHHHYHMF-XPBHXYGASA-N |
InChI | InChI=1S/C32H38N2O2/c1-20-10-5-8-15-29(35)32-25(12-9-11-21(2)16-20)17-22(3)23(4)30(32)28(34-31(32)36)18-24-19-33-27-14-7-6-13-26(24)27/h6-9,12-17,19,21,23,25,28,30,33H,5,10-11,18H2,1-4H3,(H,34,36)/b12-9+,15-8+,20-16+/t21-,23+,25-,28-,30-,32+/m0/s1 |
SMILES | CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C |
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Parent-child relations graph |
Deprecated MNXref IDs graph |