input word = C00041231

Metabolite InformationStructural formula
Name 10-Angeloylbutylphthalide
Formula C17H20O4
Mw 288.13615913
CAS RN 879496-42-1
C_ID C00041231 ,
InChIKey JSAGVPHDQLARCV-WCIBSUBMNA-N
InChICode InChI=1S/C17H20O4/c1-4-11(2)16(18)20-12(3)9-10-15-13-7-5-6-8-14(13)17(19)21-15/h4-8,12,15H,9-10H2,1-3H3/b11-4-/t12-,15-/m0/s1
SMILES c1ccc2c(c1)C(=O)O[C@H]2CC[C@H](C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica sinensis Ref.
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OrganismAngelica sinensis
ReferenceDeng,J.Nat.Prod.,69,(2006),536