PCIDB

KNApSAcK Metabolite C00006785

Metabolite

KNApSAcK Entry

id C00006785
Name Pelargonidin 3-(6'',2'''-diferulylsambubioside)-5-(6-malonylglucoside)
CAS RN 175737-97-0
Standard InChI InChI=1S/C55H56O28/c1-72-35-15-24(3-11-30(35)58)5-13-41(63)74-22-39-46(68)48(70)52(83-54-51(44(66)32(60)21-76-54)82-42(64)14-6-25-4-12-31(59)36(16-25)73-2)55(81-39)79-37-19-29-33(77-50(37)26-7-9-27(56)10-8-26)17-28(57)18-34(29)78-53-49(71)47(69)45(67)38(80-53)23-75-43(65)20-40(61)62/h3-19,32,38-39,44-49,51-55,60,66-71H,20-23H2,1-2H3,(H4-,56,57,58,59,61,62,63,64)/p+1/t32-,38?,39?,44+,45-,46-,47+,48?,49?,51?,52-,53-,54+,55-/m1/s1
Standard InChI (Main Layer) InChI=1S/C55H56O28/c1-72-35-15-24(3-11-30(35)58)5-13-41(63)74-22-39-46(68)48(70)52(83-54-51(44(66)32(60)21-76-54)82-42(64)14-6-25-4-12-31(59)36(16-25)73-2)55(81-39)79-37-19-29-33(77-50(37)26-7-9-27(56)10-8-26)17-28(57)18-34(29)78-53-49(71)47(69)45(67)38(80-53)23-75-43(65)20-40(61)62/h3-19,32,38-39,44-49,51-55,60,66-71H,20-23H2,1-2H3,(H4-,56,57,58,59,61,62,63,64)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 62

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Brassicaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Matthiola incana 3724 Brassicaceae rosids Viridiplantae