PCIDB

KNApSAcK Metabolite C00034209

Metabolite

KNApSAcK Entry

id C00034209
Name Saniculasaponin III
CAS RN 675830-87-2
Standard InChI InChI=1S/C54H84O23/c1-11-23(2)45(68)76-42-43(71-24(3)57)53(22-56)26(18-48(42,4)5)25-12-13-30-50(8)16-15-32(49(6,7)29(50)14-17-51(30,9)52(25,10)19-31(53)59)73-47-40(75-46-36(63)35(62)34(61)28(20-55)72-46)38(37(64)39(74-47)44(66)67)77-54(69)41(65)33(60)27(58)21-70-54/h11-12,26-43,46-47,55-56,58-65,69H,13-22H2,1-10H3,(H,66,67)/b23-11-/t26-,27-,28+,29-,30+,31+,32-,33-,34+,35-,36+,37-,38-,39-,40+,41+,42-,43-,46-,47+,50-,51+,52+,53-,54+/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H84O23/c1-11-23(2)45(68)76-42-43(71-24(3)57)53(22-56)26(18-48(42,4)5)25-12-13-30-50(8)16-15-32(49(6,7)29(50)14-17-51(30,9)52(25,10)19-31(53)59)73-47-40(75-46-36(63)35(62)34(61)28(20-55)72-46)38(37(64)39(74-47)44(66)67)77-54(69)41(65)33(60)27(58)21-70-54/h11-12,26-43,46-47,55-56,58-65,69H,13-22H2,1-10H3,(H,66,67)

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 2

Family

family name count
Apiaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Eryngium yuccifolium 90460 Apiaceae asterids Viridiplantae
Sanicula elata var.chinensis Makino 13665 Apiaceae asterids Viridiplantae