PCIDB

KNApSAcK Metabolite C00043894

Metabolite

KNApSAcK Entry

id C00043894
Name Saniculasaponin XI
CAS RN 675830-95-2
Standard InChI InChI=1S/C60H94O27/c1-24-45(78-25(2)65)46(79-26(3)66)44(76)52(77-24)87-49-50(80-27(4)67)60(23-64)29(18-55(49,5)6)28-12-13-34-57(9)16-15-36(56(7,8)33(57)14-17-58(34,10)59(28,11)19-35(60)68)84-53-47(41(73)38(70)31(21-62)82-53)86-54-48(42(74)39(71)32(22-63)83-54)85-51-43(75)40(72)37(69)30(20-61)81-51/h12,24,29-34,36-54,61-64,69-76H,13-23H2,1-11H3/t24-,29-,30+,31+,32+,33-,34+,36-,37+,38+,39+,40-,41-,42-,43+,44+,45-,46-,47+,48+,49-,50-,51-,52-,53-,54-,57-,58+,59+,60-/m0/s1
Standard InChI (Main Layer) InChI=1S/C60H94O27/c1-24-45(78-25(2)65)46(79-26(3)66)44(76)52(77-24)87-49-50(80-27(4)67)60(23-64)29(18-55(49,5)6)28-12-13-34-57(9)16-15-36(56(7,8)33(57)14-17-58(34,10)59(28,11)19-35(60)68)84-53-47(41(73)38(70)31(21-62)82-53)86-54-48(42(74)39(71)32(22-63)83-54)85-51-43(75)40(72)37(69)30(20-61)81-51/h12,24,29-34,36-54,61-64,69-76H,13-23H2,1-11H3

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
Sanicula elata var.chinensis Makino 13665 Apiaceae asterids Viridiplantae