PCIDB

KNApSAcK Metabolite C00040537

Metabolite

KNApSAcK Entry

id C00040537
Name Tragopogonsaponin O
CAS RN 134361-84-5
Standard InChI InChI=1S/C63H94O26/c1-58(2)21-22-63(31(23-58)30-14-15-36-60(5)19-18-38(85-55-48(77)44(73)45(74)50(88-55)52(78)80-8)59(3,4)35(60)17-20-61(36,6)62(30,7)24-37(63)67)57(79)89-56-51(49(32(66)27-81-56)87-54-47(76)43(72)41(70)34(26-65)84-54)86-39(68)16-11-28-9-12-29(13-10-28)82-53-46(75)42(71)40(69)33(25-64)83-53/h9-10,12-14,31-38,40-51,53-56,64-67,69-77H,11,15-27H2,1-8H3
Standard InChI (Main Layer) InChI=1S/C63H94O26/c1-58(2)21-22-63(31(23-58)30-14-15-36-60(5)19-18-38(85-55-48(77)44(73)45(74)50(88-55)52(78)80-8)59(3,4)35(60)17-20-61(36,6)62(30,7)24-37(63)67)57(79)89-56-51(49(32(66)27-81-56)87-54-47(76)43(72)41(70)34(26-65)84-54)86-39(68)16-11-28-9-12-29(13-10-28)82-53-46(75)42(71)40(69)33(25-64)83-53/h9-10,12-14,31-38,40-51,53-56,64-67,69-77H,11,15-27H2,1-8H3

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Tragopogon porrifolius 13731 Asteraceae asterids Viridiplantae