input word = C00022697

Metabolite InformationStructural formula
Name Brachycoumarin
Formula C20H24O3
Mw 312.17254463
CAS RN 101622-87-1
C_ID C00022697 ,
InChIKey MWUPCDHWZJCKQP-UKTHLTGXNA-N
InChICode InChI=1S/C20H24O3/c1-12(2)8-6-9-13(3)15(5)18-19(21)17-14(4)10-7-11-16(17)23-20(18)22/h7-11,15,21H,6H2,1-5H3/b13-9+/t15-/m1/s1
SMILES CC(C)=CC/C=C(C)C(C)c1c(O)c2c(C)cccc2oc1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrachyclados megalanthus Ref.
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