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Neoabietic acid
MNXM8935 is deprecated and here replaced by MNXM741140
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM741140 |
 |
| reference | chebi:29653 |
| formula | C20H30O2 |
| global charge | 0 |
| mol weight | 302.458 |
| 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)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1 |
MNX internals
| InChI (mnx) | InChI=1/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 (mnx) | [CH3:1][C:13]([CH3:2])=[C:14]1[CH2:6][CH2:8][C@H:16]2[C:15](=[CH:12]1)[CH2:7][CH2:9][C@@H:17]1[C@:19]2([CH3:3])[CH2:10][CH2:5][CH2:11][C@@:20]1([CH3:4])[C:18](=[O:21])[OH:22] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|