input word = C00012912

Metabolite InformationStructural formula
Name Pinnatifidin (Helenium)
[3aR-(3aalpha,4aalpha,8abeta,9aalpha)]-3,3a,4,4a,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenepinnatifidin
Naphtho[2,3-b]furan-2,7-dione
Formula C15H18O3
Mw 246.12559444
CAS RN 35730-85-9
C_ID C00012912 ,
InChIKey VTEFIBXQBGMXNK-GMMMMNJQNA-N
InChICode InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,11-13H,2,5-7H2,1,3H3/t11-,12+,13-,15-/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@]3(C)CC(=O)C=C(C)[C@@H]3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium pinnatifidum Ref.
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