input word = C00012377

Metabolite InformationStructural formula
Name Isabelin
Formula C15H16O4
Mw 260.104859
CAS RN 22391-22-6
C_ID C00012377 ,
InChIKey VCMZMMIHEOEXSR-YWEYNIOJNA-N
InChICode InChI=1S/C15H16O4/c1-8-4-3-5-10-7-12(19-15(10)17)13-9(2)14(16)18-11(13)6-8/h4,7,11-13H,2-3,5-6H2,1H3/b8-4+/t11-,12+,13+/m0/s1
SMILES C12=C[C@H]([C@H]3[C@H](C/C(=C/CC1)/C)OC(=O)C3=C)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAmbrosia psilostachya Ref.
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OrganismAmbrosia psilostachya
ReferenceYoshioka,J.Chem.Soc.Chem.Commun.,(1968),1679