input word = C00013080

Metabolite InformationStructural formula
Name alpha-Tetrahydro-alpha-santonin
alpha-Tetrahydrosantonin
Artepaulin
[3S-(3alpha,3aalpha,5abeta,9alpha,9aalpha,9bbeta)]-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
Formula C15H22O3
Mw 250.15689457
CAS RN 13902-54-0
C_ID C00013080 ,
InChIKey BXRGGUXPWTWACZ-QMCGFKTGNA-N
InChICode InChI=1S/C15H22O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8-10,12-13H,4-7H2,1-3H3/t8-,9+,10-,12+,13-,15-/m0/s1
SMILES [C@H]12[C@@H]([C@@H]3[C@@](CC1)(CCC(=O)[C@H]3C)C)OC(=O)[C@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia pauciflora Ref.
zoom in