input word = C00022700

Metabolite InformationStructural formula
Name Cyclobrachycoumarin
Formula C20H24O3
Mw 312.17254463
CAS RN 101622-89-3
C_ID C00022700 ,
InChIKey CITPUBRFDVRVIJ-CDESSEEXNA-N
InChICode InChI=1S/C20H24O3/c1-12(2)8-7-11-20(5)14(4)17-18(23-20)16-13(3)9-6-10-15(16)22-19(17)21/h6,8-10,14H,7,11H2,1-5H3/t14-,20+/m0/s1
SMILES CC(C)=CCC[C@@]1(C)Oc2c(c(=O)oc3cccc(C)c23)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBrachyclados megalanthus Ref.
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