input word = C00053375

Metabolite InformationStructural formula
Name Isopimarinal
Formula C20H30O
Mw 286.22966558
CAS RN 1686-63-1
C_ID C00053375
InChIKey NLLZQKHFTCHPED-VYJAJWGXSA-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/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1
SMILES C[C@]1(C=O)[C@]2([H])CC=C3C[C@@](C)(C=C)CC[C@]3([H])[C@@]2(C)CCC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus sibirica
ReferenceRogachev, A. D. et al., Chem. Biodiv., 12, (2015), 1-53.