input word = C00048505

Metabolite InformationStructural formula
Name Phaeophorbide a
Pheophorbide 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 C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCruciferaeIsatis tinctoria Ref.
PlantaePalmaeCocos nucifera Ref.
PlantaeRubiaceaeMorinda citrifolia Ref.
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