input word = C00045684

Metabolite InformationStructural formula
Name Bitalin A
Formula C13H14O3
Mw 218.09429431
CAS RN 35844-67-8
C_ID C00045684 ,
InChIKey JRWKMIYLVXKKAN-UGPWUYPHNA-N
InChICode InChI=1S/C13H14O3/c1-8(7-14)13-6-11-5-10(9(2)15)3-4-12(11)16-13/h3-5,13-14H,1,6-7H2,2H3/t13-/m1/s1
SMILES C=C(CO)[C@H]1Cc2cc(C(C)=O)ccc2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelichrysum italicum Ref.
zoom in