input word = C00011664

Metabolite InformationStructural formula
Name (R)-2-(1,5-dimethyl-4-hexenyl)-4-hydroxy-5-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl ester 3-methylbutanoic acid
Formula C20H28O5
Mw 348.193674
CAS RN 62885-80-7
C_ID C00011664 ,
InChIKey HHBNUDIPRNCPQD-UGPWUYPHNA-N
InChICode InChI=1S/C20H28O5/c1-11(2)8-7-9-13(5)16-19(24)17(22)14(6)18(23)20(16)25-15(21)10-12(3)4/h8,12-13,22H,7,9-10H2,1-6H3/t13-/m1/s1
SMILES C1(=O)C(=C(C(=O)C(=C1O)C)OC(=O)CC(C)C)[C@@H](CCC=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcourtia runcinata Ref.
PlantaeAsteraceaePerezia hebeclada Ref.
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OrganismPerezia hebeclada
ReferenceJoseph-Nathan,Phytochem.,11,(1972),1803

Joseph-Nathan,16,(1977),1086

Joseph-Nathan,21,(1982),1129

Joseph-Nathan,Tetrahedron,30,(1974),3461