PCIDB

KNApSAcK Metabolite C00044603

Metabolite

KNApSAcK Entry

id C00044603
Name Butyl chlorogenate
CAS RN 1018831-70-3
Standard InChI InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/b7-5+/t15-,16-,18-,20+/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3

Cluster

Phytochemical cluster No. 6
KCF-S cluster No. 314

Link

ChEMBL

By standard InChI CHEMBL1087756
By standard InChI Main Layer CHEMBL1087756

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Adina racemosa 170034 Rubiaceae asterids Viridiplantae