input word = C00011817

Metabolite InformationStructural formula
Name Shonachalin C
Formula C15H22O4
Mw 266.15180919
CAS RN 102349-42-8
C_ID C00011817 ,
InChIKey KUERQAIAYCRGOB-IHRKSAORNA-N
InChICode InChI=1S/C15H22O4/c1-9-7-14-12(10(2)15(18)19-14)5-3-11(8-16)4-6-13(9)17/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-7+,11-4-/t10-,12+,13+,14-/m1/s1
SMILES C1[C@@H](/C(=C/[C@@H]2[C@@H](CC/C(=C/1)/CO)[C@H](C(=O)O2)C)/C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia fragrans Ref.
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OrganismArtemisia fragrans
ReferenceSanz,Phytochem.,29,(1990),2919