input word = C00021192

Metabolite InformationStructural formula
Name Lagosin (sesquiterpene)
Formula C15H16O5
Mw 276.09977362
CAS RN 81968-96-9
C_ID C00021192 ,
InChIKey BJGUCDBGXVWUIY-UFDSTIIZNA-N
InChICode InChI=1S/C15H16O5/c1-8-9-4-6-13(2)15(20-13)7-5-10(16)19-14(15,3)11(9)18-12(8)17/h5,7,9,11H,1,4,6H2,2-3H3/t9-,11+,13+,14+,15+/m0/s1
SMILES C=C1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)O[C@]13C=CC(=O)O[C@]23C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAmbrosia psilostachya Ref.
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OrganismAmbrosia psilostachya
Referencedel Castillo,An. Quim.,77,(1981),52