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=C(C(=O)OC)[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@H](O)C(C)=C[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLeucanthemopsis pulverulenta Ref.
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