input word = C00022222

Metabolite InformationStructural formula
Name 3beta-Hydroxyisoagatholal
Formula C20H32O3
Mw 320.23514489
CAS RN 117255-05-7
C_ID C00022222 ,
InChIKey LHFRWJDSLFOXLZ-STCNJEJDNA-N
InChICode InChI=1S/C20H32O3/c1-14(10-12-21)5-7-16-15(2)6-8-17-19(16,3)11-9-18(23)20(17,4)13-22/h10,13,16-18,21,23H,2,5-9,11-12H2,1,3-4H3/b14-10+/t16-,17+,18-,19-,20+/m0/s1
SMILES C1(=C)CC[C@@H]2[C@]([C@H]1CC/C(=C/CO)/C)(CC[C@@H]([C@@]2(C=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeJuniperus thurifera Ref.
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OrganismJuniperus thurifera
ReferenceSan Feliciano,Phytochem.,27,(1988),2241