input word = C00029474

Metabolite InformationStructural formula
Name 3,3'-di-O-Methylellagic acid
3,3'-Dimethoxyellagic acid
Formula C16H10O8
Mw 330.0375673
CAS RN 2239-88-5
C_ID C00029474 ,
InChIKey KLAGYIBJNXLDTL-UHFFFAOYSA-N
InChICode InChI=1S/C16H10O8/c1-21-11-7(17)3-5-9-10-6(15(19)23-13(9)11)4-8(18)12(22-2)14(10)24-16(5)20/h3-4,17-18H,1-2H3
SMILES COc1c(O)cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc1c2c34
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeTerminalia superba Ref.
PlantaeJuglandaceaePlatycarya strobilacea Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMyrtaceaeKunzea ambigua Ref.
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OrganismPunica granatum
ReferenceWu, S. et al., Molecules 22, (2017), 1606.