input word = C00020741

Metabolite InformationStructural formula
Name 2-Acetylzafronic acid
Formula C18H26O5
Mw 322.17802394
CAS RN 91896-91-2
C_ID C00020741 ,
InChIKey LUGXPUMBYOXGBW-ZGIMUMDFNA-N
InChICode InChI=1S/C18H26O5/c1-10-8-14-13(11(2)17(20)22-5)6-7-18(4,21)15(14)9-16(10)23-12(3)19/h8,13-16,21H,2,6-7,9H2,1,3-5H3/t13-,14+,15+,16-,18+/m0/s1
SMILES C=C(C(=O)OC)[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@H](OC(C)=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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