input word = C00042738

Metabolite InformationStructural formula
Name Methyl-3',5'-dichloro-4,4'-di-O-methylatromentate
Formula C21H16Cl2O7
Mw 450.02730829
CAS RN 872451-20-2
C_ID C00042738 ,
InChIKey QDZNBMMQDUVSEQ-KNTRCKAVSA-N
InChICode InChI=1S/C21H16Cl2O7/c1-27-12-6-4-10(5-7-12)15-17(24)19(30-21(15)26)16(20(25)29-3)11-8-13(22)18(28-2)14(23)9-11/h4-9,24H,1-3H3/b19-16+
SMILES COC(=O)/C(=C1/OC(=O)C(c2ccc(OC)cc2)=C1O)c1cc(Cl)c(OC)c(Cl)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Scleroderma sp. Ref.
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