input word = C00053374

Metabolite InformationStructural formula
Name Isopimaric acid, methyl ester
Formula C21H32O2
Mw 316.24023027
CAS RN 1686-62-0
C_ID C00053374
InChIKey QMZKBAQNFAMESG-GBMAXXPESA-N
InChICode InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1
SMILES C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OC)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus sibirica
ReferenceShpatov, A. V. et al., Chem. Biodiv., 14, (2017), e1600203.