input word = C00003364

Metabolite InformationStructural formula
Name Santonin
Semenen
(-)-alpha-Santonin
(-)-Santonin
a-Santonin
[3S-(3alpha,3aalpha,5abeta,9bbeta)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
Formula C15H18O3
Mw 246.12559444
CAS RN 481-06-1
C_ID C00003364 ,
InChIKey XJHDMGJURBVLLE-APZQUYJCNA-N
InChICode InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1
SMILES C1=C[C@]2(C(=C(C1=O)C)[C@@H]1[C@@H](CC2)[C@@H](C(=O)O1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia spp. Ref.
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OrganismArtemisia spp.
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter51