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 C=C1CCC2[C@@](C)(C=O)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeThujopsis dolabrata Ref.
PlantaePinaceaePinus koraiensis Ref.
PlantaePinaceaePinus sibirica Ref.
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