PCIDB

KNApSAcK Metabolite C00011182

Metabolite

KNApSAcK Entry

id C00011182
Name Acacetin 7-O-[6''-O-glucosyl-2''-O-(3'''-acetylrhamnosyl)glucoside
CAS RN 188342-30-5
Standard InChI InChI=1S/C36H44O20/c1-13-25(41)32(51-14(2)38)31(47)35(50-13)56-33-29(45)27(43)23(12-49-34-30(46)28(44)26(42)22(11-37)54-34)55-36(33)52-17-8-18(39)24-19(40)10-20(53-21(24)9-17)15-4-6-16(48-3)7-5-15/h4-10,13,22-23,25-37,39,41-47H,11-12H2,1-3H3/t13?,22?,23?,25-,26+,27+,28-,29-,30?,31-,32?,33?,34+,35-,36+/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H44O20/c1-13-25(41)32(51-14(2)38)31(47)35(50-13)56-33-29(45)27(43)23(12-49-34-30(46)28(44)26(42)22(11-37)54-34)55-36(33)52-17-8-18(39)24-19(40)10-20(53-21(24)9-17)15-4-6-16(48-3)7-5-15/h4-10,13,22-23,25-37,39,41-47H,11-12H2,1-3H3

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
rosids 1

Family

family name count
Nitrariaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Peganum harmala 43879 Nitrariaceae rosids Viridiplantae