input word = C00047202

Metabolite InformationStructural formula
Name Buxmicrophylline I
(+)-Buxmicrophylline I
Formula C36H54N2O6
Mw 610.39818747
CAS RN 1112989-54-4
C_ID C00047202 ,
InChIKey UYPSXHPIOUWLTC-KITHINDHNA-N
InChICode InChI=1S/C36H54N2O6/c1-21(38(5)6)29-25(44-31(40)22-15-23(41-7)30(39)24(16-22)42-8)17-34(4)27-10-9-26-32(2)19-43-20-37-28(32)11-12-35(26)18-36(27,35)14-13-33(29,34)3/h15-16,21,25-29,37,39H,9-14,17-20H2,1-8H3/t21-,25+,26-,27-,28-,29-,32-,33+,34-,35+,36-/m0/s1
SMILES C1[C@@]2([C@@H](NCO1)CC[C@@]13[C@H]2CC[C@@H]2[C@]1(CC[C@]1([C@]2(C[C@H]([C@@H]1[C@@H](N(C)C)C)OC(=O)c1cc(c(c(c1)OC)O)OC)C)C)C3)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus nicrophylla Ref.
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OrganismBuxus nicrophylla
ReferenceYan,J.Nat.Prod.,72,(2009),308