PCIDB

KNApSAcK Metabolite C00006840

Metabolite

KNApSAcK Entry

id C00006840
Name Cyanidin 3-(6''-ferulyl-2'''-sinapylsambubioside)-5-(6-malonylglucoside)
CAS RN 163812-21-3
Standard InChI InChI=1S/C56H58O30/c1-74-34-12-23(4-8-29(34)59)5-10-41(64)77-21-39-47(70)49(72)53(86-55-52(44(67)31(61)20-79-55)85-42(65)11-6-24-13-35(75-2)45(68)36(14-24)76-3)56(84-39)82-37-18-27-32(80-51(37)25-7-9-28(58)30(60)15-25)16-26(57)17-33(27)81-54-50(73)48(71)46(69)38(83-54)22-78-43(66)19-40(62)63/h4-18,31,38-39,44,46-50,52-56,61,67,69-73H,19-22H2,1-3H3,(H5-,57,58,59,60,62,63,64,65,68)/p+1/t31-,38?,39?,44+,46-,47-,48+,49?,50?,52?,53-,54-,55+,56-/m1/s1
Standard InChI (Main Layer) InChI=1S/C56H58O30/c1-74-34-12-23(4-8-29(34)59)5-10-41(64)77-21-39-47(70)49(72)53(86-55-52(44(67)31(61)20-79-55)85-42(65)11-6-24-13-35(75-2)45(68)36(14-24)76-3)56(84-39)82-37-18-27-32(80-51(37)25-7-9-28(58)30(60)15-25)16-26(57)17-33(27)81-54-50(73)48(71)46(69)38(83-54)22-78-43(66)19-40(62)63/h4-18,31,38-39,44,46-50,52-56,61,67,69-73H,19-22H2,1-3H3,(H5-,57,58,59,60,62,63,64,65,68)

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