input word = C00036039

Metabolite InformationStructural formula
Name Anthrasesamone C
Formula C20H17ClO4
Mw 356.08153674
CAS RN 638199-40-3
C_ID C00036039 ,
InChIKey OMNIOLUJTUKRAH-UHFFFAOYSA-N
InChICode InChI=1S/C20H17ClO4/c1-10(2)6-5-9-13-16(21)20(25)15-14(19(13)24)17(22)11-7-3-4-8-12(11)18(15)23/h3-4,6-8,24-25H,5,9H2,1-2H3
SMILES c12c(C(=O)c3c(C1=O)c(c(c(c3O)Cl)CCC=C(C)C)O)cccc2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePedaliaceaeSesamum indicum Ref.
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