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pentalenate
MNXM20344 is deprecated and here replaced by MNXM1108026
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM1108026 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
| formula | C15H21O3 |
| charge | -1 |
| mass | 249.14962 |
| reference | metacycM:CPDMETA-13643 |
| InChIKey | WBLTVUMJMJIOGQ-SQNUXNPBSA-M |
| InChI | InChI=1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/p-1/t8-,10+,11?,12-,15+/m1/s1 |
| SMILES | C[C@@H]1CC[C@H]2C(C(=O)[O-])=CC3[C@@H](O)C(C)(C)C[C@]312 |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
