PCIDB

KNApSAcK Metabolite C00011088

Metabolite

KNApSAcK Entry

id C00011088
Name Pelargonidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucopyranoside]
CAS RN 140635-53-6
Standard InChI InChI=1S/C57H62O31/c58-18-35-41(67)45(71)49(75)54(84-35)81-32-16-26(61)15-31-27(32)17-34(52(80-31)24-5-7-25(60)8-6-24)83-57-53(48(74)44(70)38(87-57)21-79-39(65)11-3-22-1-9-28(62)30(64)13-22)88-56-51(77)47(73)43(69)37(86-56)20-78-40(66)12-4-23-2-10-29(63)33(14-23)82-55-50(76)46(72)42(68)36(19-59)85-55/h1-17,35-38,41-51,53-59,67-77H,18-21H2,(H4-,60,61,62,63,64,65,66)/p+1/t35?,36?,37?,38?,41-,42-,43-,44-,45+,46+,47?,48+,49?,50?,51-,53?,54-,55-,56+,57-/m1/s1
Standard InChI (Main Layer) InChI=1S/C57H62O31/c58-18-35-41(67)45(71)49(75)54(84-35)81-32-16-26(61)15-31-27(32)17-34(52(80-31)24-5-7-25(60)8-6-24)83-57-53(48(74)44(70)38(87-57)21-79-39(65)11-3-22-1-9-28(62)30(64)13-22)88-56-51(77)47(73)43(69)37(86-56)20-78-40(66)12-4-23-2-10-29(63)33(14-23)82-55-50(76)46(72)42(68)36(19-59)85-55/h1-17,35-38,41-51,53-59,67-77H,18-21H2,(H4-,60,61,62,63,64,65,66)

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
asterids 2

Family

family name count
Convolvulaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea nil 35883 Convolvulaceae asterids Viridiplantae
Ipomoea purpurea 4121 Convolvulaceae asterids Viridiplantae