input word = C00008004

Metabolite InformationStructural formula
Name 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
Formula C20H20O4
Mw 324.13615913
CAS RN 70056-37-0
C_ID C00008004 ,
InChIKey IDWBWCUFKGRGML-UHFFFAOYSA-N
InChICode InChI=1S/C20H20O4/c1-13-7-9-15-18(24-12-13)11-17(22)19(20(15)23)16(21)10-8-14-5-3-2-4-6-14/h2-7,11,22-23H,8-10,12H2,1H3
SMILES c12c(c(c(c(c1)O)C(=O)CCc1ccccc1)O)CC=C(CO2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Radula variabilis Ref.
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