input word = C00010963

Metabolite InformationStructural formula
Name [1S-[1alpha(E),3(E),5beta,6alpha]]-5-hydroxy-6-(1-methylethyl)-3-[[(2-methyl-1-oxo-2-butenyl)oxy]methyl]-4-oxo-2-cyclohexen-1-yl ester
Formula C20H28O6
Mw 364.18858863
CAS RN 128988-31-8
C_ID C00010963 ,
InChIKey AEZJXKJRWXBLCL-CLVYLMETNA-N
InChICode InChI=1S/C20H28O6/c1-7-12(5)19(23)25-10-14-9-15(26-20(24)13(6)8-2)16(11(3)4)18(22)17(14)21/h7-9,11,15-16,18,22H,10H2,1-6H3/b12-7+,13-8+/t15-,16-,18+/m0/s1
SMILES C1(=O)[C@@H]([C@H]([C@H](C=C1COC(=O)/C(=C/C)/C)OC(=O)/C(=C/C)/C)C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSphaeranthus bullatus Ref.
zoom in



OrganismSphaeranthus bullatus
ReferenceJakupovic,Phytochem.,29,(1990),1213