PCIDB

KNApSAcK Metabolite C00006872

Metabolite

KNApSAcK Entry

id C00006872
Name Peonidin 3-[6''-(4-glucosylcaffeyl)sophoroside]-5-glucoside
CAS RN 135618-32-5
Standard InChI InChI=1S/C49H58O29/c1-68-26-9-18(4-5-21(26)54)44-27(12-20-24(70-44)10-19(53)11-25(20)72-47-42(66)38(62)34(58)29(14-51)75-47)73-49-45(78-48-43(67)39(63)35(59)30(15-52)76-48)40(64)36(60)31(77-49)16-69-32(56)7-3-17-2-6-23(22(55)8-17)71-46-41(65)37(61)33(57)28(13-50)74-46/h2-12,28-31,33-43,45-52,57-67H,13-16H2,1H3,(H2-,53,54,55)/p+1/b7-3+/t28?,29?,30?,31?,33-,34-,35-,36-,37+,38+,39?,40?,41?,42?,43-,45?,46-,47-,48+,49-/m1/s1
Standard InChI (Main Layer) InChI=1S/C49H58O29/c1-68-26-9-18(4-5-21(26)54)44-27(12-20-24(70-44)10-19(53)11-25(20)72-47-42(66)38(62)34(58)29(14-51)75-47)73-49-45(78-48-43(67)39(63)35(59)30(15-52)76-48)40(64)36(60)31(77-49)16-69-32(56)7-3-17-2-6-23(22(55)8-17)71-46-41(65)37(61)33(57)28(13-50)74-46/h2-12,28-31,33-43,45-52,57-67H,13-16H2,1H3,(H2-,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