input word = C00022329

Metabolite InformationStructural formula
Name Austrochaparol acetate
Formula C22H32O3
Mw 344.23514489
CAS RN 74635-76-0
C_ID C00022329 ,
InChIKey KQRLNMJAVTWITO-OEXJDEPMNA-N
InChICode InChI=1S/C22H32O3/c1-15-18(8-7-17-9-12-24-14-17)22(5)11-6-10-21(3,4)20(22)13-19(15)25-16(2)23/h9,12,14,18-20H,1,6-8,10-11,13H2,2-5H3/t18-,19-,20+,22+/m0/s1
SMILES C=C1C(CCc2ccoc2)[C@]2(C)CCCC(C)(C)[C@H]2C[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAustroeupatorium chaparense Ref.
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OrganismAustroeupatorium chaparense
ReferenceBohlmann,Phytochem.,19,(1980),2695