PCIDB

KNApSAcK Metabolite C00040243

Metabolite

KNApSAcK Entry

id C00040243
Name Scaberoside Hb1
CAS RN 150172-24-0
Standard InChI InChI=1S/C58H92O26/c1-22-32(62)34(64)39(69)48(77-22)81-43-27(60)21-76-51(45(43)83-49-41(71)37(67)42(23(2)78-49)80-47-38(68)33(63)26(59)20-75-47)84-52(74)58-17-16-53(3,4)18-25(58)24-10-11-29-55(7)14-13-31(79-50-40(70)35(65)36(66)44(82-50)46(72)73)54(5,6)28(55)12-15-56(29,8)57(24,9)19-30(58)61/h10,22-23,25-45,47-51,59-71H,11-21H2,1-9H3,(H,72,73)
Standard InChI (Main Layer) InChI=1S/C58H92O26/c1-22-32(62)34(64)39(69)48(77-22)81-43-27(60)21-76-51(45(43)83-49-41(71)37(67)42(23(2)78-49)80-47-38(68)33(63)26(59)20-75-47)84-52(74)58-17-16-53(3,4)18-25(58)24-10-11-29-55(7)14-13-31(79-50-40(70)35(65)36(66)44(82-50)46(72)73)54(5,6)28(55)12-15-56(29,8)57(24,9)19-30(58)61/h10,22-23,25-45,47-51,59-71H,11-21H2,1-9H3,(H,72,73)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

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