input word = C00047784

Metabolite InformationStructural formula
Name Cassiarin D
(-)-Cassiarin D
Formula C26H23NO6
Mw 445.15253747
CAS RN 1187953-65-6
C_ID C00047784 ,
InChIKey HZJJDGVISZWXLO-UHFFFAOYNA-N
InChICode InChI=1S/C26H23NO6/c1-13-4-15-6-18(30)9-23-24(15)20(27-13)12-26(3,33-23)11-19-10-21(31)25-16(5-14(2)28)7-17(29)8-22(25)32-19/h4,6-10,29-30H,5,11-12H2,1-3H3/t26-/m0/s1
SMILES CC(=O)Cc1cc(O)cc2oc(CC3(C)Cc4nc(C)cc5cc(O)cc(c45)O3)cc(=O)c12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia siamea Ref.
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