input word = C00012108

Metabolite InformationStructural formula
Name 9alpha-Acetoxyparthenolide
Formula C17H22O5
Mw 306.14672381
CAS RN 55249-44-0
C_ID C00012108 ,
InChIKey QMKVWBGFFNUWNW-LGYPUMEGNA-N
InChICode InChI=1S/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-12(10(2)16(19)21-14)8-13(9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6+/t12-,13+,14-,15-,17+/m0/s1
SMILES C1C[C@@]2([C@H]([C@@H]3[C@@H](C[C@H](/C(=C/1)/C)OC(=O)C)C(=C)C(=O)O3)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis cretica subsp.tenuiloba Ref.
PlantaeAsteraceaeAnthemis macedonica Ref.
PlantaeAsteraceaeAnthemis punctata subsp. cupaniana Ref.
PlantaeAsteraceaeAnthemis stribrnyi subsp. tracica Ref.
PlantaeAsteraceaeMatricaria suffruticosa Ref.
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