input word = C00003305

Metabolite InformationStructural formula
Name Inulicin
Formula C17H24O5
Mw 308.16237388
CAS RN 33627-41-7
C_ID C00003305 ,
InChIKey QKVABRCMWRXFAF-IBXOEMNQNA-N
InChICode InChI=1S/C17H24O5/c1-9-8-14-15(11(3)17(20)22-14)16(19)10(2)13(9)6-5-7-21-12(4)18/h10,14-16,19H,3,5-8H2,1-2,4H3/t10-,14-,15-,16-/m1/s1
SMILES C=C1C(=O)O[C@@H]2CC(C)=C(CCCOC(C)=O)[C@@H](C)[C@@H](O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula britannica Ref.
PlantaeAsteraceaeInula britannica var.chinensis Ref.
PlantaeAsteraceaeInula japonica Ref.
PlantaeAsteraceaeInula linariaefolia Ref.
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OrganismInula japonica
ReferenceKiseleva,Chem. Nat. Comp.,7,(1973),254