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Neoabietic acid
MNXM8935 is deprecated and here replaced by MNXM741140
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM741140 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
| formula | C20H30O2 |
| charge | 0 |
| mass | 302.22458 |
| reference | chebi:29653 |
| InChIKey | KGMSWPSAVZAMKR-ONCXSQPRSA-N |
| InChI | InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h12,16-17H,5-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1 |
| SMILES | CC(C)=C1C=C2CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
