PCIDB

KNApSAcK Metabolite C00040248

Metabolite

KNApSAcK Entry

id C00040248
Name Scaberoside Hf
CAS RN 154971-87-6
Standard InChI InChI=1S/C64H102O31/c1-23-34(69)37(72)41(76)53(86-23)91-47-28(67)22-85-57(50(47)94-54-43(78)39(74)46(24(2)87-54)90-52-40(75)35(70)27(66)21-84-52)95-58(83)64-17-16-59(3,4)18-26(64)25-10-11-31-61(7)14-13-33(60(5,6)30(61)12-15-62(31,8)63(25,9)19-32(64)68)89-56-45(80)48(44(79)49(93-56)51(81)82)92-55-42(77)38(73)36(71)29(20-65)88-55/h10,23-24,26-50,52-57,65-80H,11-22H2,1-9H3,(H,81,82)
Standard InChI (Main Layer) InChI=1S/C64H102O31/c1-23-34(69)37(72)41(76)53(86-23)91-47-28(67)22-85-57(50(47)94-54-43(78)39(74)46(24(2)87-54)90-52-40(75)35(70)27(66)21-84-52)95-58(83)64-17-16-59(3,4)18-26(64)25-10-11-31-61(7)14-13-33(60(5,6)30(61)12-15-62(31,8)63(25,9)19-32(64)68)89-56-45(80)48(44(79)49(93-56)51(81)82)92-55-42(77)38(73)36(71)29(20-65)88-55/h10,23-24,26-50,52-57,65-80H,11-22H2,1-9H3,(H,81,82)

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