input word = C00028899

Metabolite InformationStructural formula
Name Repanduline
Formula C37H36N2O7
Mw 620.25225152
CAS RN 20398-02-1
C_ID C00028899 ,
InChIKey ZJPDWMDHODYSGY-ALTASWHUNA-N
InChICode InChI=1S/C37H36N2O7/c1-38-10-8-23-16-29-30-18-26(23)27(38)12-21-4-6-25(7-5-21)45-32-15-22(14-31-35(32)44-20-43-31)13-28-34-24(9-11-39(28)2)17-33(41-3)36(40)37(34,46-30)19-42-29/h4-7,14-18,27-28H,8-13,19-20H2,1-3H3/t27-,28+,37+/m0/s1
SMILES C1N([C@H]2C3=C(C1)C=C(C(=O)[C@@]13Oc3c(OC1)cc1c(c3)[C@@H](N(CC1)C)Cc1ccc(cc1)Oc1cc(cc3c1OCO3)C2)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMonimiaceaeDaphnandra dielsii Ref.
PlantaeMonimiaceaeDaphnandra repandura Ref.
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OrganismDaphnandra dielsii
ReferenceCrichett,Austr.J.Chem.,42,(1989),2043

Galal,Heterocycles,29,(1989),1689