input word = C00022135

Metabolite InformationStructural formula
Name Vittadinal
Formula C20H32O3
Mw 320.23514489
CAS RN 117232-53-8
C_ID C00022135 ,
InChIKey UCKHUGXNJNCONK-IOIAICKMNA-N
InChICode InChI=1S/C20H32O3/c1-16(2)6-4-9-19(14-22)20-11-10-18(15-23-20)8-5-7-17(3)12-13-21/h6,8,12,14,19-21H,4-5,7,9-11,13,15H2,1-3H3/b17-12+,18-8-/t19-,20-/m1/s1
SMILES CC(C)=CCC[C@H](C=O)[C@H]1CC/C(=C/CC/C(C)=C/CO)CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVittadinia gracilis Ref.
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