PCIDB

KNApSAcK Metabolite C00006338

Metabolite

KNApSAcK Entry

id C00006338
Name Isoorientin 4'-O-glucoside-2''-(4-glucosylcaffeate)
CAS RN 57186-28-4
Standard InChI InChI=1S/C42H46O24/c43-11-24-32(53)36(57)40(66-27(50)6-2-14-1-4-20(16(46)7-14)62-41-37(58)34(55)30(51)25(12-44)64-41)39(61-24)29-19(49)10-23-28(33(29)54)18(48)9-22(60-23)15-3-5-21(17(47)8-15)63-42-38(59)35(56)31(52)26(13-45)65-42/h1-10,24-26,30-32,34-47,49,51-59H,11-13H2/b6-2+/t24?,25?,26?,30-,31-,32-,34?,35+,36+,37?,38?,39+,40?,41-,42-/m1/s1
Standard InChI (Main Layer) InChI=1S/C42H46O24/c43-11-24-32(53)36(57)40(66-27(50)6-2-14-1-4-20(16(46)7-14)62-41-37(58)34(55)30(51)25(12-44)64-41)39(61-24)29-19(49)10-23-28(33(29)54)18(48)9-22(60-23)15-3-5-21(17(47)8-15)63-42-38(59)35(56)31(52)26(13-45)65-42/h1-10,24-26,30-32,34-47,49,51-59H,11-13H2

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
Gentianaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Gentiana burseri 38850 Gentianaceae asterids Viridiplantae