PCIDB

KNApSAcK Metabolite C00040241

Metabolite

KNApSAcK Entry

id C00040241
Name Scaberoside B4
CAS RN 138822-88-5
Standard InChI InChI=1S/C47H74O17/c1-21-28(49)30(51)33(54)38(60-21)63-36-29(50)24(48)20-59-40(36)64-41(58)47-17-15-42(2,3)19-23(47)22-9-10-26-44(6)13-12-27(61-39-34(55)31(52)32(53)35(62-39)37(56)57)43(4,5)25(44)11-14-46(26,8)45(22,7)16-18-47/h9,21,23-36,38-40,48-55H,10-20H2,1-8H3,(H,56,57)/t21-,23-,24+,25-,26+,27-,28-,29-,30+,31-,32-,33+,34+,35-,36+,38-,39+,40-,44-,45+,46+,47-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H74O17/c1-21-28(49)30(51)33(54)38(60-21)63-36-29(50)24(48)20-59-40(36)64-41(58)47-17-15-42(2,3)19-23(47)22-9-10-26-44(6)13-12-27(61-39-34(55)31(52)32(53)35(62-39)37(56)57)43(4,5)25(44)11-14-46(26,8)45(22,7)16-18-47/h9,21,23-36,38-40,48-55H,10-20H2,1-8H3,(H,56,57)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 9

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aster scaber 385370 Asteraceae asterids Viridiplantae