PCIDB

KNApSAcK Metabolite C00049144

Metabolite

KNApSAcK Entry

id C00049144
Name Deacetylasperulosidic acid ethyl ester
CAS RN 210109-13-0
Standard InChI InChI=1S/C18H26O11/c1-2-26-16(25)8-6-27-17(11-7(4-19)3-9(21)12(8)11)29-18-15(24)14(23)13(22)10(5-20)28-18/h3,6,9-15,17-24H,2,4-5H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
Standard InChI (Main Layer) InChI=1S/C18H26O11/c1-2-26-16(25)8-6-27-17(11-7(4-19)3-9(21)12(8)11)29-18-15(24)14(23)13(22)10(5-20)28-18/h3,6,9-15,17-24H,2,4-5H2,1H3

Cluster

Phytochemical cluster No. 36
KCF-S cluster No. 100

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
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Hedyotis hedyotidea 462689 Rubiaceae asterids Viridiplantae