PCIDB

KNApSAcK Metabolite C00047078

Metabolite

KNApSAcK Entry

id C00047078
Name Petersaponin III / (-)-Petersaponin III
CAS RN 272776-00-8
Standard InChI InChI=1S/C62H92O26/c1-26-37(67)40(70)43(73)54(81-26)80-25-62-30(21-57(3,4)49(50(62)82-27(2)64)88-52(78)28-13-11-10-12-14-28)29-15-16-34-59(7)19-18-36(58(5,6)33(59)17-20-60(34,8)61(29,9)22-35(62)66)84-56-48(87-55-44(74)41(71)39(69)32(23-63)83-55)46(45(75)47(86-56)51(76)77)85-53-42(72)38(68)31(65)24-79-53/h10-15,26,30-50,53-56,63,65-75H,16-25H2,1-9H3,(H,76,77)/t26-,30-,31+,32+,33-,34+,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-,46-,47-,48+,49-,50-,53-,54+,55-,56+,59-,60+,61+,62-/m0/s1
Standard InChI (Main Layer) InChI=1S/C62H92O26/c1-26-37(67)40(70)43(73)54(81-26)80-25-62-30(21-57(3,4)49(50(62)82-27(2)64)88-52(78)28-13-11-10-12-14-28)29-15-16-34-59(7)19-18-36(58(5,6)33(59)17-20-60(34,8)61(29,9)22-35(62)66)84-56-48(87-55-44(74)41(71)39(69)32(23-63)83-55)46(45(75)47(86-56)51(76)77)85-53-42(72)38(68)31(65)24-79-53/h10-15,26,30-50,53-56,63,65-75H,16-25H2,1-9H3,(H,76,77)

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

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Petersianthus macrocarpus 372763 asterids Viridiplantae