PCIDB

KNApSAcK Metabolite C00006412

Metabolite

KNApSAcK Entry

id C00006412
Name Orientin 2''-O-xyloside-6''-ferulate
CAS RN 124934-29-8
Standard InChI InChI=1S/C36H36O18/c1-49-24-8-14(2-5-17(24)38)3-7-26(44)50-13-25-30(46)31(47)35(54-36-32(48)29(45)22(43)12-51-36)34(53-25)28-20(41)10-19(40)27-21(42)11-23(52-33(27)28)15-4-6-16(37)18(39)9-15/h2-11,22,25,29-32,34-41,43,45-48H,12-13H2,1H3/b7-3+/t22-,25+,29?,30-,31?,32?,34+,35?,36+/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H36O18/c1-49-24-8-14(2-5-17(24)38)3-7-26(44)50-13-25-30(46)31(47)35(54-36-32(48)29(45)22(43)12-51-36)34(53-25)28-20(41)10-19(40)27-21(42)11-23(52-33(27)28)15-4-6-16(37)18(39)9-15/h2-11,22,25,29-32,34-41,43,45-48H,12-13H2,1H3

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
Liliopsida 1

Family

family name count
Poaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Setaria italica 4555 Poaceae Liliopsida Viridiplantae