input word = C00057227

Metabolite InformationStructural formula
Name Phaeophorbide b
Formula C35H34N4O6
Mw 606.24783485
CAS RN 20239-99-0
C_ID C00057227
InChIKey PROPHBCDMQAJMH-HSJXTSEBSA-N
InChICode InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36,39H,1,8-10H2,2-6H3,(H,41,42)/b22-11-,23-11-,24-12-,25-13-,26-12-,27-13-,32-30-/t16-,20-,31+/m0/s1
SMILES C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica spp. Ref.
zoom in



OrganismBrassica spp.
ReferenceFischer, H. et al., Die Chemie des Pyrrols, Akademische Verlag, Leipzig, Vol. II, (ii), 1940, 245-249 (rev)