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 COC1=CC2=C3[C@@H](Cc4cc5c(c(c4)Oc4ccc(cc4)C[C@H]4c6cc7c(cc6CCN4C)OC[C@]3(O7)C1=O)OCO5)N(C)CC2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMonimiaceaeDaphnandra dielsii Ref.
PlantaeMonimiaceaeDaphnandra repandura Ref.
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