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