PCIDB

KNApSAcK Metabolite C00049595

Metabolite

KNApSAcK Entry

id C00049595
Name Scrophuloside A5 / (+)-Scrophuloside A5
CAS RN 240819-79-8
Standard InChI InChI=1S/C43H50O19/c1-21-35(58-29(47)15-9-23-5-11-25(52-3)12-6-23)37(59-30(48)16-10-24-7-13-26(53-4)14-8-24)38(56-22(2)46)42(55-21)60-36-27-17-18-54-40(31(27)43(20-45)39(36)62-43)61-41-34(51)33(50)32(49)28(19-44)57-41/h5-18,21,27-28,31-42,44-45,49-51H,19-20H2,1-4H3/b15-9+,16-10+/t21-,27+,28+,31+,32+,33-,34+,35-,36-,37+,38+,39-,40-,41-,42-,43+/m0/s1
Standard InChI (Main Layer) InChI=1S/C43H50O19/c1-21-35(58-29(47)15-9-23-5-11-25(52-3)12-6-23)37(59-30(48)16-10-24-7-13-26(53-4)14-8-24)38(56-22(2)46)42(55-21)60-36-27-17-18-54-40(31(27)43(20-45)39(36)62-43)61-41-34(51)33(50)32(49)28(19-44)57-41/h5-18,21,27-28,31-42,44-45,49-51H,19-20H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 189

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
Scrophulariaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Scrophularia nodosa L. 90363 Scrophulariaceae asterids Viridiplantae