input word = C00047369

Metabolite InformationStructural formula
Name 9,9'-Dibenzoylsecoisolariciresinol
(-)-9,9'-Dibenzoylsecoisolariciresinol
Formula C34H34O8
Mw 570.22536806
CAS RN 1159990-78-9
C_ID C00047369 ,
InChIKey RQQATRNILDTCMJ-LEFKRGDZNA-N
InChICode InChI=1S/C34H34O8/c1-39-31-19-23(13-15-29(31)35)17-27(21-41-33(37)25-9-5-3-6-10-25)28(18-24-14-16-30(36)32(20-24)40-2)22-42-34(38)26-11-7-4-8-12-26/h3-16,19-20,27-28,35-36H,17-18,21-22H2,1-2H3/t27-,28-/m0/s1
SMILES COc1cc(C[C@@H](COC(=O)c2ccccc2)[C@H](COC(=O)c2ccccc2)Cc2ccc(O)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMaytenus apurimacensis Ref.
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OrganismMaytenus apurimacensis
ReferenceVazdekis,J.Nat.Prod.,72,(2009),1045