input word = C00022664

Metabolite InformationStructural formula
Name 8beta-Acetoxy-3beta-propionyloxyisocostic acid methyl ester
Formula C21H30O6
Mw 378.20423869
CAS RN 112848-40-5
C_ID C00022664 ,
InChIKey CJFLOEYIQWKUBV-KDOYTJHINA-N
InChICode InChI=1S/C21H30O6/c1-7-19(23)27-17-8-9-21(5)11-18(26-14(4)22)15(10-16(21)13(17)3)12(2)20(24)25-6/h15,17-18H,2,7-11H2,1,3-6H3/t15-,17+,18-,21-/m1/s1
SMILES C=C(C(=O)OC)[C@H]1CC2=C(C)[C@@H](OC(=O)CC)CC[C@]2(C)C[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEriocephalus pauperrimus Ref.
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