input word = C00020806

Metabolite InformationStructural formula
Name Ferulide
Formula C20H24O5
Mw 344.16237388
CAS RN 112766-69-5
C_ID C00020806 ,
InChIKey XQBLMOCHFJXAAJ-VVMGNNBCNA-N
InChICode InChI=1S/C20H24O5/c1-10(2)8-15(22)25-20(5)13-7-6-11(3)16-14(21)9-12(4)17(16)18(13)24-19(20)23/h8-9,13,17-18H,6-7H2,1-5H3/t13-,17-,18-,20+/m1/s1
SMILES C12=C(CC[C@@H]3[C@H]([C@@H]1C(=CC2=O)C)OC(=O)[C@@]3(C)OC(=O)C=C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula penninervis Ref.
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OrganismFerula penninervis
ReferenceAbdullaev,Chem. Nat. Comp.,23,(1987),200