PCIDB

KNApSAcK Metabolite C00040129

Metabolite

KNApSAcK Entry

id C00040129
Name Quadranoside III / (+)-Quadranoside III
CAS RN 267001-54-7
Standard InChI InChI=1S/C36H58O11/c1-18-25(41)26(42)27(43)29(46-18)47-30(45)36-12-11-31(2,16-37)13-20(36)19-7-8-23-32(3)14-21(39)28(44)33(4,17-38)22(32)9-10-34(23,5)35(19,6)15-24(36)40/h7,18,20-29,37-44H,8-17H2,1-6H3/t18-,20+,21-,22-,23-,24-,25+,26+,27-,28+,29+,31-,32+,33+,34-,35-,36-/m1/s1
Standard InChI (Main Layer) InChI=1S/C36H58O11/c1-18-25(41)26(42)27(43)29(46-18)47-30(45)36-12-11-31(2,16-37)13-20(36)19-7-8-23-32(3)14-21(39)28(44)33(4,17-38)22(32)9-10-34(23,5)35(19,6)15-24(36)40/h7,18,20-29,37-44H,8-17H2,1-6H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 50

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
rosids 1

Family

family name count
Lamiaceae 1
Combretaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Combretum quadrangulare 99434 Combretaceae rosids Viridiplantae
Melissa officinalis 39338 Lamiaceae asterids Viridiplantae