input word = C00029390

Metabolite InformationStructural formula
Name 13-epi-Phaeophorbide a methyl ester
Pheophorbide a' methyl ester
Phaeophorbide-a-methyl ester
Formula C36H38N4O5
Mw 606.28422035
CAS RN 64070-09-3
C_ID C00029390 ,
InChIKey IWKYEJKHXKRZIJ-LDNYDGNXNA-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=C/5\N=C(C6=c([nH]2)c1C(=O)[C@H]6C(=O)OC)[C@@H]([C@@H]5C)CCC(=O)OC)c(c4C=C)C)/C(=C3CC)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSaussurea medusa Maxim Ref.
PlantaePiperaceaePeperomia sui Ref.
PlantaeRubiaceaeMorinda citrifolia L. Ref.
zoom in