input word = C00020111

Metabolite InformationStructural formula
Name 3-Acetoxy-4,7(11)-muuroladien-8-one
Formula C17H24O3
Mw 276.17254463
CAS RN 62458-51-9
C_ID C00020111 ,
InChIKey HIEJMYXUMUNVKS-CWSKWVAINA-N
InChICode InChI=1S/C17H24O3/c1-9(2)17-14-6-11(4)16(20-12(5)18)8-13(14)10(3)7-15(17)19/h6,10,13-14,16H,7-8H2,1-5H3/t10-,13+,14-,16+/m0/s1
SMILES C1(=O)C[C@@H]([C@@H]2[C@@H](C1=C(C)C)C=C([C@@H](C2)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina petiolare Ref.
PlantaeAsteraceaeAgeratina petiolaris Ref.
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