PCIDB

KNApSAcK Metabolite C00004499

Metabolite

KNApSAcK Entry

id C00004499
Name Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)-glucoside
CAS RN 143061-76-1
Standard InChI InChI=1S/C28H32O16/c1-39-11-4-2-10(3-5-11)14-6-12(31)18-13(32)7-15(21(35)25(18)40-14)41-28-26(23(37)20(34)17(9-30)43-28)44-27-24(38)22(36)19(33)16(8-29)42-27/h2-7,16-17,19-20,22-24,26-30,32-38H,8-9H2,1H3/t16?,17?,19-,20-,22+,23+,24?,26?,27+,28-/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H32O16/c1-39-11-4-2-10(3-5-11)14-6-12(31)18-13(32)7-15(21(35)25(18)40-14)41-28-26(23(37)20(34)17(9-30)43-28)44-27-24(38)22(36)19(33)16(8-29)42-27/h2-7,16-17,19-20,22-24,26-30,32-38H,8-9H2,1H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

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
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Sideritis javalambrensis 155231 Lamiaceae asterids Viridiplantae