PCIDB

KNApSAcK Metabolite C00009198

Metabolite

KNApSAcK Entry

id C00009198
Name [5-O-beta-D-Glucopyranosylluteoliflavan-(4beta->8)]2-eriodictyol-5-O-beta-D-glucopyranoside
CAS RN 104250-03-5
Standard InChI InChI=1S/C63H66O31/c64-17-42-50(77)53(80)56(83)61(92-42)89-39-11-23(67)10-38-47(39)24(12-35(86-38)20-1-4-26(68)29(71)7-20)45-32(74)15-40(90-62-57(84)54(81)51(78)43(18-65)93-62)48-25(13-36(87-59(45)48)21-2-5-27(69)30(72)8-21)46-33(75)16-41(91-63-58(85)55(82)52(79)44(19-66)94-63)49-34(76)14-37(88-60(46)49)22-3-6-28(70)31(73)9-22/h1-11,15-16,24-25,35-37,42-44,50-58,61-75,77-85H,12-14,17-19H2/t24?,25?,35-,36-,37-,42?,43?,44?,50+,51+,52+,53-,54-,55-,56?,57?,58?,61+,62+,63+/m0/s1
Standard InChI (Main Layer) InChI=1S/C63H66O31/c64-17-42-50(77)53(80)56(83)61(92-42)89-39-11-23(67)10-38-47(39)24(12-35(86-38)20-1-4-26(68)29(71)7-20)45-32(74)15-40(90-62-57(84)54(81)51(78)43(18-65)93-62)48-25(13-36(87-59(45)48)21-2-5-27(69)30(72)8-21)46-33(75)16-41(91-63-58(85)55(82)52(79)44(19-66)94-63)49-34(76)14-37(88-60(46)49)22-3-6-28(70)31(73)9-22/h1-11,15-16,24-25,35-37,42-44,50-58,61-75,77-85H,12-14,17-19H2

Cluster

Phytochemical cluster
KCF-S cluster No. 5555

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Liliopsida 1

Family

family name count
Poaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Sorghum vulgare 4558 Poaceae Liliopsida Viridiplantae