input word = C00022223

Metabolite InformationStructural formula
Name 3beta-Hydroxyisoagatholal acetate
Formula C22H34O4
Mw 362.24570957
CAS RN 117232-44-7
C_ID C00022223 ,
InChIKey HYYRFYLAIKNXSR-QMFPHPBINA-N
InChICode InChI=1S/C22H34O4/c1-15(11-13-23)6-8-18-16(2)7-9-19-21(18,4)12-10-20(26-17(3)25)22(19,5)14-24/h11,14,18-20,23H,2,6-10,12-13H2,1,3-5H3/b15-11+/t18-,19+,20+,21-,22+/m0/s1
SMILES C=C1CC[C@H]2[C@@](C)(C=O)[C@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeJuniperus thurifera Ref.
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