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 c1(cc2c3c(c1)cc(nc3C[C@](O2)(C)Cc1oc2c(c(=O)c1)c(cc(c2)O)CC(=O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia siamea Ref.
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