PCIDB

KNApSAcK Metabolite C00003559

Metabolite

KNApSAcK Entry

id C00003559
Name Virgaureasaponin I
CAS RN 112515-98-7
Standard InChI InChI=1S/C59H96O27/c1-22-33(65)36(68)40(72)49(78-22)83-45-28(63)20-77-48(43(45)75)82-44-24(3)80-50(42(74)39(44)71)84-46-38(70)34(66)23(2)79-52(46)86-53(76)59-15-14-54(4,5)16-26(59)25-10-11-31-55(6)17-27(62)47(85-51-41(73)37(69)35(67)29(19-60)81-51)56(7,21-61)30(55)12-13-57(31,8)58(25,9)18-32(59)64/h10,22-24,26-52,60-75H,11-21H2,1-9H3/t22?,23?,24-,26-,27-,28+,29?,30+,31+,32+,33-,34-,35+,36-,37-,38?,39?,40?,41?,42?,43?,44-,45-,46?,47-,48-,49-,50-,51-,52-,55-,56-,57+,58+,59+/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H96O27/c1-22-33(65)36(68)40(72)49(78-22)83-45-28(63)20-77-48(43(45)75)82-44-24(3)80-50(42(74)39(44)71)84-46-38(70)34(66)23(2)79-52(46)86-53(76)59-15-14-54(4,5)16-26(59)25-10-11-31-55(6)17-27(62)47(85-51-41(73)37(69)35(67)29(19-60)81-51)56(7,21-61)30(55)12-13-57(31,8)58(25,9)18-32(59)64/h10,22-24,26-52,60-75H,11-21H2,1-9H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB C08989

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 2

Family

family name count
Asteraceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bellis perennis 41492 Asteraceae asterids Viridiplantae
Solidago virgaurea 462879 Asteraceae asterids Viridiplantae