PCIDB

KNApSAcK Metabolite C00029390

Metabolite

KNApSAcK Entry

id C00029390
Name Phaeophorbide-a-methyl ester / Pheophorbide a' methyl ester / 13-epi-Phaeophorbide a methyl ester
CAS RN 64070-09-3
Standard InChI 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
Standard InChI (Main Layer) 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

Cluster

Phytochemical cluster
KCF-S cluster No. 990

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL408290 CHEMBL504821 CHEMBL1985396

KEGG

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CTD

By CAS RN