PCIDB

KNApSAcK Metabolite C00043904

Metabolite

KNApSAcK Entry

id C00043904
Name Scabiosaponin K / (-)-Scabiosaponin K
CAS RN 689257-74-7
Standard InChI InChI=1S/C64H104O31/c1-24-35(68)49(93-53-44(77)40(73)30(23-86-53)90-54-46(79)42(75)38(71)28(20-66)89-54)48(81)56(87-24)94-50-36(69)26(67)21-84-57(50)92-33-12-13-61(6)31(60(33,4)5)11-14-63(8)32(61)10-9-25-34-51(82)59(2,3)15-17-64(34,18-16-62(25,63)7)58(83)95-55-47(80)43(76)39(72)29(91-55)22-85-52-45(78)41(74)37(70)27(19-65)88-52/h9,24,26-57,65-82H,10-23H2,1-8H3/t24-,26+,27+,28+,29+,30+,31-,32+,33-,34+,35-,36-,37+,38+,39+,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50+,51-,52+,53-,54-,55-,56-,57-,61-,62+,63+,64-/m0/s1
Standard InChI (Main Layer) InChI=1S/C64H104O31/c1-24-35(68)49(93-53-44(77)40(73)30(23-86-53)90-54-46(79)42(75)38(71)28(20-66)89-54)48(81)56(87-24)94-50-36(69)26(67)21-84-57(50)92-33-12-13-61(6)31(60(33,4)5)11-14-63(8)32(61)10-9-25-34-51(82)59(2,3)15-17-64(34,18-16-62(25,63)7)58(83)95-55-47(80)43(76)39(72)29(91-55)22-85-52-45(78)41(74)37(70)27(19-65)88-52/h9,24,26-57,65-82H,10-23H2,1-8H3

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
Caprifoliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Scabiosa tschiliensis 180067 Caprifoliaceae asterids Viridiplantae