input word = C00053684

Metabolite InformationStructural formula
Name Pimarinal
Formula C20H30O
Mw 286.22966558
CAS RN 472-39-9
C_ID C00053684
InChIKey JKBKXKTXDKYEOR-UHZRXMQZSA-N
InChICode InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13-14,16-17H,1,6-12H2,2-4H3/t16-,17-,18+,19-,20+/m0/s1
SMILES C=C[C@@]1(C)C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C=O)[C@H]2CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus koraiensis Ref.
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OrganismPinus koraiensis
ReferenceShpatov, A. V. et al., Chem. Biodiv., 14, (2017), e1600203.