PCIDB

KNApSAcK Metabolite C00005617

Metabolite

KNApSAcK Entry

id C00005617
Name Ombuin 3-rutinoside-5-glucoside
CAS RN 96400-43-0
Standard InChI InChI=1S/C35H44O21/c1-11-21(38)25(42)28(45)33(51-11)50-10-19-23(40)27(44)30(47)35(55-19)56-32-24(41)20-16(52-31(32)12-4-5-15(49-3)14(37)6-12)7-13(48-2)8-17(20)53-34-29(46)26(43)22(39)18(9-36)54-34/h4-8,11,18-19,21-23,25-30,33-40,42-47H,9-10H2,1-3H3/t11?,18?,19?,21-,22+,23+,25-,26-,27?,28?,29?,30?,33+,34+,35-/m0/s1
Standard InChI (Main Layer) InChI=1S/C35H44O21/c1-11-21(38)25(42)28(45)33(51-11)50-10-19-23(40)27(44)30(47)35(55-19)56-32-24(41)20-16(52-31(32)12-4-5-15(49-3)14(37)6-12)7-13(48-2)8-17(20)53-34-29(46)26(43)22(39)18(9-36)54-34/h4-8,11,18-19,21-23,25-30,33-40,42-47H,9-10H2,1-3H3

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 2

Family

family name count
Erythroxylaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Erythroxylum argentinum 113285 Erythroxylaceae rosids Viridiplantae
Erythroxylum cuneifolium 13511 Erythroxylaceae rosids Viridiplantae