input word = C00052711

Metabolite InformationStructural formula
Name 4-Epiisocembrol
4-Epikaurenoic acid
Formula C20H34O
Mw 290.26096571
CAS RN 80126-41-6
C_ID C00052711
InChIKey YAPXSYXFLHDPCK-PBHTYFKMSA-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/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13+,17-10-,18-9+/t19-,20+/m1/s1
SMILES CC(C)[C@H]1/C=C/[C@@](C)(O)CC/C=C(C)CC/C=C(C)/CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia amazonica Ref.
PlantaePinaceaePinus sibirica Ref.
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OrganismPinus sibirica
ReferenceRogachev, A. D. et al., Chem. Biodiv., 12, (2015), 1-53.