PCIDB

KNApSAcK Metabolite C00047687

Metabolite

KNApSAcK Entry

id C00047687
Name 6-O-Acetylscutehenanine A / (-)-6-O-Acetylscutehenanine A
CAS RN 1189052-13-8
Standard InChI InChI=1S/C28H33NO7/c1-17-8-6-10-21-26(3,12-11-19-14-22(31)34-16-19)28(5,33)24(23(27(17,21)4)35-18(2)30)36-25(32)20-9-7-13-29-15-20/h7-9,11-15,21,23-24,33H,6,10,16H2,1-5H3/b12-11+/t21-,23+,24+,26-,27+,28+/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H33NO7/c1-17-8-6-10-21-26(3,12-11-19-14-22(31)34-16-19)28(5,33)24(23(27(17,21)4)35-18(2)30)36-25(32)20-9-7-13-29-15-20/h7-9,11-15,21,23-24,33H,6,10,16H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1089

Link

ChEMBL

By standard InChI CHEMBL1078787
By standard InChI Main Layer CHEMBL1078787

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Scutellaria barbata 396367 Lamiaceae asterids Viridiplantae