PCIDB

KNApSAcK Metabolite C00043888

Metabolite

KNApSAcK Entry

id C00043888
Name Saniculasaponin IV
CAS RN 675830-88-3
Standard InChI InChI=1S/C54H84O23/c1-11-22(2)45(69)77-43-42(66)54(21-71-23(3)56)25(18-49(43,4)5)24-12-13-29-51(8)16-15-30(50(6,7)28(51)14-17-52(29,9)53(24,10)40(64)41(54)65)73-48-39(76-47-35(62)33(60)32(59)27(19-55)72-47)37(36(63)38(75-48)44(67)68)74-46-34(61)31(58)26(57)20-70-46/h11-12,25-43,46-48,55,57-66H,13-21H2,1-10H3,(H,67,68)/b22-11-/t25-,26-,27+,28-,29+,30-,31-,32+,33-,34+,35+,36-,37-,38-,39+,40-,41+,42-,43-,46-,47-,48+,51-,52+,53-,54-/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H84O23/c1-11-22(2)45(69)77-43-42(66)54(21-71-23(3)56)25(18-49(43,4)5)24-12-13-29-51(8)16-15-30(50(6,7)28(51)14-17-52(29,9)53(24,10)40(64)41(54)65)73-48-39(76-47-35(62)33(60)32(59)27(19-55)72-47)37(36(63)38(75-48)44(67)68)74-46-34(61)31(58)26(57)20-70-46/h11-12,25-43,46-48,55,57-66H,13-21H2,1-10H3,(H,67,68)

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