PCIDB

KNApSAcK Metabolite C00003544

Metabolite

KNApSAcK Entry

id C00003544
Name Primulasaponin
CAS RN 31660-87-4
Standard InChI InChI=1S/C54H90O22/c1-23-33(59)36(62)40(66)46(70-23)76-44-42(68)43(75-47-41(67)38(64)35(61)28(73-47)21-69-45-39(65)37(63)34(60)26(19-55)71-45)27(20-56)72-48(44)74-32-12-13-51(6)29(50(32,4)5)11-14-52(7)30(51)10-9-24-25-17-49(2,3)15-16-54(25,22-57)31(58)18-53(24,52)8/h9,23,25-48,55-68H,10-22H2,1-8H3/t23?,25-,26?,27?,28?,29-,30+,31+,32-,33-,34+,35-,36-,37-,38-,39?,40?,41?,42-,43-,44?,45+,46-,47-,48-,51-,52+,53+,54+/m0/s1
Standard InChI (Main Layer) InChI=1S/C54H90O22/c1-23-33(59)36(62)40(66)46(70-23)76-44-42(68)43(75-47-41(67)38(64)35(61)28(73-47)21-69-45-39(65)37(63)34(60)26(19-55)71-45)27(20-56)72-48(44)74-32-12-13-51(6)29(50(32,4)5)11-14-52(7)30(51)10-9-24-25-17-49(2,3)15-16-54(25,22-57)31(58)18-53(24,52)8/h9,23,25-48,55-68H,10-22H2,1-8H3

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
Primulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Primula elatior 175059 Primulaceae asterids Viridiplantae