input word = C00022640

Metabolite InformationStructural formula
Name 2alpha-Acetoxyeupatolide
Formula C17H22O5
Mw 306.14672381
CAS RN 83117-71-9
C_ID C00022640 ,
InChIKey BUPVWHHGBIRMBD-UWEMNIEBNA-N
InChICode InChI=1S/C17H22O5/c1-9-5-13(21-12(4)18)6-10(2)8-15-16(14(19)7-9)11(3)17(20)22-15/h5,8,13-16,19H,3,6-7H2,1-2,4H3/b9-5+,10-8-/t13-,14-,15+,16-/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)C[C@H](OC(C)=O)/C=C(C)C[C@@H](O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMikania grazielae Ref.
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OrganismMikania grazielae
ReferenceBohlmann,Phytochem.,21,(1982),1169