input word = C00012266

Metabolite InformationStructural formula
Name Pectorolide
Formula C19H24O6
Mw 348.1572885
CAS RN 50656-62-7
C_ID C00012266 ,
InChIKey CXDFJLQIPUJSIX-GLCLJXAGNA-N
InChICode InChI=1S/C19H24O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h5,8,15-17,20-21H,1,3-4,6-7,9-10H2,2H3/b13-5+,14-8+/t15-,16-,17+/m0/s1
SMILES C=C(C)C(=O)O[C@H]1C/C(CO)=CCC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia pectoralis Ref.
zoom in