PCIDB

KNApSAcK Metabolite C00004167

Metabolite

KNApSAcK Entry

id C00004167
Name Apigenin 7-neohesperidoside-4'-glucoside
CAS RN 31498-83-6
Standard InChI InChI=1S/C33H40O19/c1-11-22(38)25(41)28(44)31(46-11)52-30-27(43)24(40)20(10-35)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(5-3-12)47-32-29(45)26(42)23(39)19(9-34)50-32/h2-8,11,19-20,22-36,38-45H,9-10H2,1H3/t11?,19-,20?,22-,23+,24+,25-,26?,27-,28?,29?,30?,31-,32+,33+/m0/s1
Standard InChI (Main Layer) InChI=1S/C33H40O19/c1-11-22(38)25(41)28(44)31(46-11)52-30-27(43)24(40)20(10-35)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(5-3-12)47-32-29(45)26(42)23(39)19(9-34)50-32/h2-8,11,19-20,22-36,38-45H,9-10H2,1H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Embryophyta 1

Family

family name count
Hedwigiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Hedwigia ciliata 52988 Hedwigiaceae Embryophyta Viridiplantae