input word = C00011610

Metabolite InformationStructural formula
Name Bisabolangelone
Angelikoreanol
Ligustilone
Formula C15H20O3
Mw 248.1412445
CAS RN 30557-81-4
C_ID C00011610 ,
InChIKey GNWNPLBSEQDDQV-CKQGBPMSNA-N
InChICode InChI=1S/C15H20O3/c1-9(2)5-6-13-15(4,17)14-11(16)7-10(3)8-12(14)18-13/h5-7,12,14,17H,8H2,1-4H3/b13-6-/t12-,14+,15-/m1/s1
SMILES CC(C)=C/C=C1O[C@@H]2CC(C)=CC(=O)[C@@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica pubescens f.biserrta Ref.
PlantaeApiaceaeAngelica silvestris Ref.
PlantaeOleaceaeLigustrum sinense Ref.
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OrganismAngelica pubescens f.biserrta
ReferenceLiu,Phytochem.,49,(1998),211