PCIDB

KNApSAcK Metabolite C00040242

Metabolite

KNApSAcK Entry

id C00040242
Name Scaberoside Ha
CAS RN 150172-23-9
Standard InChI InChI=1S/C53H84O22/c1-21-30(56)32(58)36(62)43(69-21)72-39-25(54)20-68-46(41(39)74-44-37(63)33(59)31(57)22(2)70-44)75-47(67)53-17-16-48(3,4)18-24(53)23-10-11-27-50(7)14-13-29(71-45-38(64)34(60)35(61)40(73-45)42(65)66)49(5,6)26(50)12-15-51(27,8)52(23,9)19-28(53)55/h10,21-22,24-41,43-46,54-64H,11-20H2,1-9H3,(H,65,66)
Standard InChI (Main Layer) InChI=1S/C53H84O22/c1-21-30(56)32(58)36(62)43(69-21)72-39-25(54)20-68-46(41(39)74-44-37(63)33(59)31(57)22(2)70-44)75-47(67)53-17-16-48(3,4)18-24(53)23-10-11-27-50(7)14-13-29(71-45-38(64)34(60)35(61)40(73-45)42(65)66)49(5,6)26(50)12-15-51(27,8)52(23,9)19-28(53)55/h10,21-22,24-41,43-46,54-64H,11-20H2,1-9H3,(H,65,66)

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