PCIDB

KNApSAcK Metabolite C00043886

Metabolite

KNApSAcK Entry

id C00043886
Name Saniculasaponin I
CAS RN 675830-85-0
Standard InChI InChI=1S/C55H86O24/c1-11-22(2)46(71)79-44-43(72-23(3)59)50(4,5)18-25-24-12-13-29-52(8)16-15-30(51(6,7)28(52)14-17-53(29,9)54(24,10)41(67)42(68)55(25,44)21-58)75-49-40(78-48-36(65)34(63)32(61)27(20-57)74-48)38(37(66)39(77-49)45(69)70)76-47-35(64)33(62)31(60)26(19-56)73-47/h11-12,25-44,47-49,56-58,60-68H,13-21H2,1-10H3,(H,69,70)/b22-11-/t25-,26+,27+,28-,29+,30-,31-,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42+,43-,44-,47-,48-,49+,52-,53+,54-,55-/m0/s1
Standard InChI (Main Layer) InChI=1S/C55H86O24/c1-11-22(2)46(71)79-44-43(72-23(3)59)50(4,5)18-25-24-12-13-29-52(8)16-15-30(51(6,7)28(52)14-17-53(29,9)54(24,10)41(67)42(68)55(25,44)21-58)75-49-40(78-48-36(65)34(63)32(61)27(20-57)74-48)38(37(66)39(77-49)45(69)70)76-47-35(64)33(62)31(60)26(19-56)73-47/h11-12,25-44,47-49,56-58,60-68H,13-21H2,1-10H3,(H,69,70)

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