input word = C00053090

Metabolite InformationStructural formula
Name Cembrol
Formula C20H34O
Mw 290.26096571
CAS RN 4727-80-4
C_ID C00053090
InChIKey WKQKVJFYCDGSFS-UHFFFAOYSA-N
InChICode InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h8-9,11-12,16,19,21H,6-7,10,13-15H2,1-5H3
SMILES CC1=C/C/C=C(C)CCCC(C)(O)CCC(C(C)C)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus sibirica
ReferenceRogachev, A. D. et al., Chem. Biodiv., 12, (2015), 1-53.