input word = C00039931

Metabolite InformationStructural formula
Name Parellin
Formula C18H15ClO6
Mw 362.05571592
CAS RN 926888-01-9
C_ID C00039931 ,
InChIKey FZBRFXCENCOJRK-UHFFFAOYSA-N
InChICode InChI=1S/C18H15ClO6/c1-7-5-11(21)10(6-20)17-12(7)18(22)25-16-9(3)14(23-4)13(19)8(2)15(16)24-17/h5-6,21H,1-4H3
SMILES COc1c(C)c2c(c(C)c1Cl)Oc1c(C=O)c(O)cc(C)c1C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Ochrolechia parella Ref.
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