PCIDB

KNApSAcK Metabolite C00014083

Metabolite

KNApSAcK Entry

id C00014083
Name Isovitexin 2''-O-(6'''-(E)-feruloyl)glucoside 4'-O-glucoside
CAS RN 372113-57-0
Standard InChI InChI=1S/C43H48O23/c1-59-23-10-16(2-8-19(23)46)3-9-28(49)60-15-27-33(52)36(55)39(58)43(65-27)66-41-37(56)32(51)25(13-44)63-40(41)30-21(48)12-24-29(34(30)53)20(47)11-22(62-24)17-4-6-18(7-5-17)61-42-38(57)35(54)31(50)26(14-45)64-42/h2-12,25-27,31-33,35-46,48,50-58H,13-15H2,1H3/b9-3+/t25?,26?,27?,31-,32-,33-,35+,36+,37+,38?,39?,40+,41?,42-,43+/m1/s1
Standard InChI (Main Layer) InChI=1S/C43H48O23/c1-59-23-10-16(2-8-19(23)46)3-9-28(49)60-15-27-33(52)36(55)39(58)43(65-27)66-41-37(56)32(51)25(13-44)63-40(41)30-21(48)12-24-29(34(30)53)20(47)11-22(62-24)17-4-6-18(7-5-17)61-42-38(57)35(54)31(50)26(14-45)64-42/h2-12,25-27,31-33,35-46,48,50-58H,13-15H2,1H3

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
rosids 2

Family

family name count
Cucurbitaceae 1
Geraniaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cucumis sativus 3659 Cucurbitaceae rosids Viridiplantae
Pelargonium reniforme 59871 Geraniaceae rosids Viridiplantae