PCIDB

KNApSAcK Metabolite C00033830

Metabolite

KNApSAcK Entry

id C00033830
Name Eryngioside I / (-)-Eryngioside I
CAS RN 1039557-72-6
Standard InChI InChI=1S/C52H82O21/c1-10-22(2)43(66)69-30-18-47(3,4)17-24-23-11-12-28-49(7)15-14-29(48(5,6)27(49)13-16-50(28,8)51(23,9)40(62)41(63)52(24,30)21-54)70-46-39(73-45-35(60)33(58)32(57)26(19-53)68-45)37(36(61)38(72-46)42(64)65)71-44-34(59)31(56)25(55)20-67-44/h10-11,24-41,44-46,53-63H,12-21H2,1-9H3,(H,64,65)/b22-10-/t24-,25-,26+,27-,28+,29-,30-,31-,32+,33-,34+,35+,36-,37-,38-,39+,40-,41+,44-,45-,46?,49-,50+,51-,52+/m0/s1
Standard InChI (Main Layer) InChI=1S/C52H82O21/c1-10-22(2)43(66)69-30-18-47(3,4)17-24-23-11-12-28-49(7)15-14-29(48(5,6)27(49)13-16-50(28,8)51(23,9)40(62)41(63)52(24,30)21-54)70-46-39(73-45-35(60)33(58)32(57)26(19-53)68-45)37(36(61)38(72-46)42(64)65)71-44-34(59)31(56)25(55)20-67-44/h10-11,24-41,44-46,53-63H,12-21H2,1-9H3,(H,64,65)

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
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Eryngium yuccifolium 90460 Apiaceae asterids Viridiplantae