input word = C00020742

Metabolite InformationStructural formula
Name (-)-Zafronic acid methyl ester
Formula C16H24O4
Mw 280.16745925
CAS RN 91896-90-1
C_ID C00020742 ,
InChIKey YMCUJJNBPMHFGO-UCSOOTJHNA-N
InChICode InChI=1S/C16H24O4/c1-9-7-12-11(10(2)15(18)20-4)5-6-16(3,19)13(12)8-14(9)17/h7,11-14,17,19H,2,5-6,8H2,1,3-4H3/t11-,12+,13+,14-,16+/m0/s1
SMILES [C@@H]12[C@@H]([C@@H](CC[C@@]1(C)O)C(=C)C(=O)OC)C=C([C@H](C2)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLeucanthemopsis pulverulenta Ref.
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OrganismLeucanthemopsis pulverulenta
Referencede Pascual-Teresa,Phytochem.,40,(1984),2189