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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OrganismLigustrum sinense
ReferenceOu, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)