PCIDB

KNApSAcK Metabolite C00034376

Metabolite

KNApSAcK Entry

id C00034376
Name 2'-(5''-O-E-Feruloylapiosyl)phyllocactin
CAS RN 290313-68-7
Standard InChI InChI=1S/C42H44N2O23/c1-61-27-10-18(2-4-25(27)45)3-5-31(49)63-16-42(60)17-64-41(36(42)53)67-35-34(52)33(51)29(15-62-32(50)14-30(47)48)66-40(35)65-28-12-20-11-24(39(58)59)44(23(20)13-26(28)46)7-6-19-8-21(37(54)55)43-22(9-19)38(56)57/h2-8,10,12-13,22,24,29,33-36,40-41,45-46,51-53,60H,9,11,14-17H2,1H3,(H,47,48)(H,54,55)(H,56,57)(H,58,59)/b5-3+,7-6+/t22-,24-,29+,33+,34-,35+,36-,40?,41-,42+/m0/s1
Standard InChI (Main Layer) InChI=1S/C42H44N2O23/c1-61-27-10-18(2-4-25(27)45)3-5-31(49)63-16-42(60)17-64-41(36(42)53)67-35-34(52)33(51)29(15-62-32(50)14-30(47)48)66-40(35)65-28-12-20-11-24(39(58)59)44(23(20)13-26(28)46)7-6-19-8-21(37(54)55)43-22(9-19)38(56)57/h2-8,10,12-13,22,24,29,33-36,40-41,45-46,51-53,60H,9,11,14-17H2,1H3,(H,47,48)(H,54,55)(H,56,57)(H,58,59)

Cluster

Phytochemical cluster No. 71
KCF-S cluster No. 2277

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN