input word = C00022707

Metabolite InformationStructural formula
Name Isoagatholal
Formula C20H32O2
Mw 304.24023027
CAS RN 17990-11-3
C_ID C00022707 ,
InChIKey FSLWKIHHQUNBQK-IUEGSBBHNA-N
InChICode InChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h10,14,17-18,21H,2,5-9,11-13H2,1,3-4H3/b15-10+/t17-,18+,19+,20+/m0/s1
SMILES C1C[C@]([C@@H]2[C@](C1)([C@H](C(=C)CC2)CC/C(=C/CO)/C)C)(C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeThujopsis dolabrata Ref.
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
zoom in



OrganismPinus sibirica
ReferenceRogachev, A. D. et al., Chem. Biodiv., 12, (2015), 1-53.