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a phenyl acetate
MNXM497 is deprecated and here replaced by MNXM737264
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM737264 |
 |
| reference | metacycM:Phenyl-Acetates |
| formula | C8H3O2*5 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]C1=C([*])C([*])=C(OC(C)=O)C([*])=C1[*] |
MNX internals
| InChI (mnx) | InChI=1/C13H18O2/c1-7-8(2)10(4)13(15-12(6)14)11(5)9(7)3/h1-6H3/i1+1,2+1,3+1,4+1,5+1 |
 |
| SMILES (mnx) | [13CH3:1][C:7]1=[C:8]([13CH3:2])[C:10]([13CH3:4])=[C:13]([O:15][C:12]([CH3:6])=[O:14])[C:11]([13CH3:5])=[C:9]1[13CH3:3] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|