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isotrichodermin
MNXM126976 is deprecated and here replaced by MNXM727689
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM727689 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C17H24O4 |
| charge | 0 |
| mass | 292.16746 |
| reference | chebi:157608 |
| InChIKey | OZXJPPYWZVBMGW-IKIFYQGPSA-N |
| InChI | InChI=1S/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16-,17+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)CC[C@@]12C |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:157608
chebi:157608
| isotrichodermin
|
| hmdb:HMDB0034738
| Isotrichodermin
1',2',5'-Trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-yl acetic acid
1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-yl acetate
12,13-Epoxy-acetate(3alpha)-tichothec-9-en-3-ol
12,13-Epoxy-trichothec-9-ene-3-ol acetate
|
| hmdb:HMDB34738
| secondary/obsolete/fantasy identifier
|
