input word = C00020178

Metabolite InformationStructural formula
Name 3-Acetoxy-8-calamenenone
(1S,4R)-7-Acetoxycalamenen-3-one
Formula C17H22O3
Mw 274.15689457
CAS RN 101688-36-2
C_ID C00020178 ,
InChIKey MZCAFHVPVBCBNU-XSRZFLEXNA-N
InChICode InChI=1S/C17H22O3/c1-9(2)17-14-6-11(4)16(20-12(5)18)8-13(14)10(3)7-15(17)19/h6,8-10,17H,7H2,1-5H3/t10-,17+/m0/s1
SMILES CC(=O)Oc1cc2c(cc1C)[C@@H](C(C)C)C(=O)C[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lemnalia cervicornis Ref.
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