PCIDB

KNApSAcK Metabolite C00040531

Metabolite

KNApSAcK Entry

id C00040531
Name Tragopogonsaponin E
CAS RN 134453-42-2
Standard InChI InChI=1S/C58H84O22/c1-53(2)20-21-58(52(71)80-51-47(39(63)30(60)26-74-51)78-38(62)15-11-27-10-13-31(32(22-27)72-8)75-49-44(68)41(65)40(64)33(25-59)76-49)29(23-53)28-12-14-35-55(5)18-17-37(77-50-45(69)42(66)43(67)46(79-50)48(70)73-9)54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)61/h10-13,15,22,29-30,33-37,39-47,49-51,59-61,63-69H,14,16-21,23-26H2,1-9H3/b15-11+
Standard InChI (Main Layer) InChI=1S/C58H84O22/c1-53(2)20-21-58(52(71)80-51-47(39(63)30(60)26-74-51)78-38(62)15-11-27-10-13-31(32(22-27)72-8)75-49-44(68)41(65)40(64)33(25-59)76-49)29(23-53)28-12-14-35-55(5)18-17-37(77-50-45(69)42(66)43(67)46(79-50)48(70)73-9)54(3,4)34(55)16-19-56(35,6)57(28,7)24-36(58)61/h10-13,15,22,29-30,33-37,39-47,49-51,59-61,63-69H,14,16-21,23-26H2,1-9H3

Cluster

Phytochemical cluster
KCF-S cluster No. 136

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