input word = C00022317

Metabolite InformationStructural formula
Name 18-Oxoaustrochaparol acetate
Formula C22H30O4
Mw 358.21440945
CAS RN 74635-77-1
C_ID C00022317 ,
InChIKey NZVOYOFABUYBQT-RVQWYILRNA-N
InChICode InChI=1S/C22H30O4/c1-15-18(7-6-17-8-11-25-13-17)22(4)10-5-9-21(3,14-23)20(22)12-19(15)26-16(2)24/h8,11,13-14,18-20H,1,5-7,9-10,12H2,2-4H3/t18-,19+,20-,21-,22+/m1/s1
SMILES C=C1[C@@H](OC(C)=O)C[C@H]2[C@@](C)(CCC[C@]2(C)C=O)[C@@H]1CCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAustroeupatorium chaparense Ref.
zoom in



OrganismAustroeupatorium chaparense
ReferenceBohlmann,Phytochem.,19,(1980),111