PCIDB

KNApSAcK Metabolite C00006847

Metabolite

KNApSAcK Entry

id C00006847
Name Cyanidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside
CAS RN 155961-88-9
Standard InChI InChI=1S/C48H56O29/c49-12-27-32(57)36(61)40(65)45(73-27)70-23-5-1-16(7-22(23)55)2-6-31(56)68-15-30-35(60)39(64)44(77-47-42(67)38(63)34(59)29(14-51)75-47)48(76-30)72-26-11-19-24(69-43(26)17-3-4-20(53)21(54)8-17)9-18(52)10-25(19)71-46-41(66)37(62)33(58)28(13-50)74-46/h1-11,27-30,32-42,44-51,57-67H,12-15H2,(H3-,52,53,54,55)/p+1/b6-2+/t27?,28?,29?,30?,32-,33-,34-,35-,36+,37+,38+,39?,40?,41?,42?,44-,45-,46-,47+,48-/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H56O29/c49-12-27-32(57)36(61)40(65)45(73-27)70-23-5-1-16(7-22(23)55)2-6-31(56)68-15-30-35(60)39(64)44(77-47-42(67)38(63)34(59)29(14-51)75-47)48(76-30)72-26-11-19-24(69-43(26)17-3-4-20(53)21(54)8-17)9-18(52)10-25(19)71-46-41(66)37(62)33(58)28(13-50)74-46/h1-11,27-30,32-42,44-51,57-67H,12-15H2,(H3-,52,53,54,55)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Convolvulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea nil 35883 Convolvulaceae asterids Viridiplantae