input word = C00048505

Metabolite InformationStructural formula
Name Phaeophorbide a
Formula C35H36N4O5
Mw 592.26857029
CAS RN 15664-29-6
C_ID C00048505 ,
InChIKey NSFSLUUZQIAOOX-YSKGJVQYNA-N
InChICode InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,32-30-/t17-,21-,31+/m0/s1
SMILES C12=N/C(=C\c3c(c(c([nH]3)/C=C\3/[C@H]([C@@H](C(=N3)C3=c4c(c(/c(=C\2)/[nH]4)C)C(=O)[C@@H]3C(=O)OC)CCC(=O)O)C)C)C=C)/C(=C1CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCruciferaeIsatis tinctoria Ref.
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