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prochaetoglobosin IV
MNXM108223 is deprecated and here replaced by MNXM1105044
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1105044 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 4 |
in models (compartimentalized) |
0 |
|
formula | C32H38N2O3 |
charge | 0 |
mass | 498.28824 |
reference | metacycM:CPD-17431 |
InChIKey | WDTVRLZSWNFOOH-CTQYYNJESA-N |
InChI | InChI=1S/C32H38N2O3/c1-19-10-5-8-15-27(35)32-24(13-9-11-20(2)16-19)29-31(4,37-29)21(3)28(32)26(34-30(32)36)17-22-18-33-25-14-7-6-12-23(22)25/h6-9,12-16,18,20-21,24,26,28-29,33H,5,10-11,17H2,1-4H3,(H,34,36)/b13-9+,15-8+,19-16+/t20-,21-,24-,26-,28-,29-,31+,32+/m0/s1 |
SMILES | C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23C(=O)/C=C/CC1 |
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Parent-child relations graph |
Deprecated MNXref IDs graph |