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terpendole F
MNXM148514 is deprecated and replaced by MNXM1100854
| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1100854 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 4 |
in models (compartimentalized) |
0 |
|
formula | C28H39NO4 |
charge | 0 |
mass | 453.28791 |
reference | metacycM:CPD-17192 |
InChIKey | WJKJBBVBVFTCQK-KYYKPQATSA-N |
InChI | InChI=1S/C28H39NO4/c1-25(2,32)23-14-21(31)28(15-30)20-10-9-16-13-18-17-7-5-6-8-19(17)29-24(18)27(16,4)26(20,3)12-11-22(28)33-23/h5-8,16,20-23,29-32H,9-15H2,1-4H3/t16-,20+,21+,22-,23-,26-,27+,28+/m0/s1 |
SMILES | CC(C)(O)[C@@H]1C[C@@H](O)[C@]2(CO)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@@]23C)O1 |
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Parent-child relations graph |
Deprecated MNXref IDs graph |