input word = C00053938

Metabolite InformationStructural formula
Name 7-Chloro-6-demethylcepharadione B
Formula C18H12ClNO4
Mw 341.04548559
CAS RN 149682-95-1
C_ID C00053938
InChIKey DBNFUUYMTAGFDM-UHFFFAOYSA-N
InChICode InChI=1S/C18H12ClNO4/c1-23-11-7-10-12-13(17(11)24-2)8-5-3-4-6-9(8)14(19)15(12)20-18(22)16(10)21/h3-7H,1-2H3,(H,20,22)
SMILES COc1cc2c3c(c(Cl)c4ccccc4c3c1OC)NC(=O)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaururaceaeHouttuynia cordata Ref.
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OrganismHouttuynia cordata
ReferenceAkasu, M. et al., Tet. Lett., 1974, 3609 (uv, ir, pmr, ms, struct)