input word = C00045005

Metabolite InformationStructural formula
Name Phellophyll a
Formula C34H34N4O5
Mw 578.25292023
CAS RN 51744-55-9
C_ID C00045005 ,
InChIKey CYJMOKFTYFAWKO-XYMDAMRJNA-N
InChICode InChI=1S/C34H34N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(39)42-7)31(37-24)30-32-29(33(40)43-34(30)41)18(6)25(38-32)14-27-20(9-2)16(4)23(36-27)13-26(19)35-22/h8,12-14,17,21,35,38H,1,9-11H2,2-7H3/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,31-30+/t17-,21-/m0/s1
SMILES C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)OC4=O)[C@@H](CCC(=O)OC)[C@@H]3C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense var.wilsonii Ref.
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OrganismPhellodendron amurense var.wilsonii
ReferenceWu,J.Nat.Prod.,66,(2003),1207