input word = C00000332

Metabolite InformationStructural formula
Name Methyl pheophorbide a
Formula C36H38N4O5
Mw 606.28422035
CAS RN 5594-30-9
C_ID C00000332 ,
InChIKey IWKYEJKHXKRZIJ-PIEZJCHHNA-N
InChICode InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,37,40H,1,10-12H2,2-8H3/b23-13?,24-14-,25-13-,26-15-,27-14-,28-15-,33-31-/t18-,22-,32+/m0/s1
SMILES c1(/c/2=C/C3=N/C(=C\c4[nH]c(c(c4C=C)C)/C=C/4\N=C(C5=c([nH]2)c1C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C)CCC(=O)OC)/C(=C3CC)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
PlantaeRubiaceaeMorinda citrifolia L. Ref.
PlantaeRutaceaePhellodendron amurense var.wilsonii Ref.
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OrganismMorinda citrifolia L.
ReferenceTakashima,Chem.Pharm.Bull.,55,(2007),343