input word = C00022683

Metabolite InformationStructural formula
Name Ivangustin acatate
Formula C17H22O4
Mw 290.15180919
CAS RN 14164-60-4
C_ID C00022683 ,
InChIKey IPKISNGUERKNJL-FQYROGDHNA-N
InChICode InChI=1S/C17H22O4/c1-9-5-6-15(20-11(3)18)17(4)8-14-12(7-13(9)17)10(2)16(19)21-14/h12,14-15H,2,5-8H2,1,3-4H3/t12-,14-,15-,17-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@]3(C)C(=C(C)CC[C@H]3OC(C)=O)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus scariosus Ref.
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