PCIDB

KNApSAcK Metabolite C00030164

Metabolite

KNApSAcK Entry

id C00030164
Name Echinocystic acid 3-O-sulfate
CAS RN 99633-27-9
Standard InChI InChI=1S/C30H48O7S/c1-25(2)14-15-30(24(32)33)19(16-25)18-8-9-21-27(5)12-11-23(37-38(34,35)36)26(3,4)20(27)10-13-28(21,6)29(18,7)17-22(30)31/h8,19-23,31H,9-17H2,1-7H3,(H,32,33)(H,34,35,36)/t19-,20-,21+,22+,23-,27-,28+,29+,30+/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H48O7S/c1-25(2)14-15-30(24(32)33)19(16-25)18-8-9-21-27(5)12-11-23(37-38(34,35)36)26(3,4)20(27)10-13-28(21,6)29(18,7)17-22(30)31/h8,19-23,31H,9-17H2,1-7H3,(H,32,33)(H,34,35,36)

Cluster

Phytochemical cluster
KCF-S cluster No. 3806

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1208179

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bupleurum rotundifolium 90446 Apiaceae asterids Viridiplantae