input word = C00020176

Metabolite InformationStructural formula
Name 8-Acetoxy-3-methoxycalamenene
(1S,3R,4R)-7-Methoxycalamenen-3-yl acetate
Formula C18H26O3
Mw 290.1881947
CAS RN 101688-40-8
C_ID C00020176 ,
InChIKey XGIOAOVXVGMJNM-RBYHVRDJNA-N
InChICode InChI=1S/C18H26O3/c1-10(2)18-15-7-12(4)16(20-6)9-14(15)11(3)8-17(18)21-13(5)19/h7,9-11,17-18H,8H2,1-6H3/t11-,17-,18+/m0/s1
SMILES c1(c(cc2c(c1)[C@H](C[C@@H]([C@@H]2C(C)C)OC(=O)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lemnalia cervicornis Ref.
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OrganismLemnalia cervicornis
ReferenceBowden,Aust. J. Chem.,39,(1986),103