input word = C00047785

Metabolite InformationStructural formula
Name Cassiarin E
(-)-Cassiarin E
Formula C26H22N2O4
Mw 426.15795721
CAS RN 1187953-66-7
C_ID C00047785 ,
InChIKey QFASAGFSZZZDBJ-UHFFFAOYNA-N
InChICode InChI=1S/C26H22N2O4/c1-13-4-15-6-17(29)8-22-24(15)20(27-13)10-19(31-22)11-26(3)12-21-25-16(5-14(2)28-21)7-18(30)9-23(25)32-26/h4-10,29-30H,11-12H2,1-3H3/t26-/m0/s1
SMILES Cc1cc2cc(O)cc3c2c(n1)C=C(CC1(C)Cc2nc(C)cc4cc(O)cc(c24)O1)O3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia siamea Ref.
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