PCIDB

KNApSAcK Metabolite C00050389

Metabolite

KNApSAcK Entry

id C00050389
Name Patrinia saponin H3 / (-)-Patrinia saponin H3
CAS RN 197013-75-5
Standard InChI InChI=1S/C65H106O31/c1-25-36(70)41(75)45(79)54(87-25)93-50-31(21-67)90-53(48(82)44(50)78)86-23-32-40(74)43(77)47(81)56(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-58-52(38(72)29(69)22-85-58)95-57-49(83)51(37(71)26(2)88-57)94-55-46(80)42(76)39(73)30(20-66)89-55/h9,25-26,28-58,66-83H,10-24H2,1-8H3/t25-,26-,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+,53+,54-,55-,56-,57-,58-,61-,62-,63+,64+,65-/m0/s1
Standard InChI (Main Layer) InChI=1S/C65H106O31/c1-25-36(70)41(75)45(79)54(87-25)93-50-31(21-67)90-53(48(82)44(50)78)86-23-32-40(74)43(77)47(81)56(91-32)96-59(84)65-17-15-60(3,4)19-28(65)27-9-10-34-61(5)13-12-35(62(6,24-68)33(61)11-14-64(34,8)63(27,7)16-18-65)92-58-52(38(72)29(69)22-85-58)95-57-49(83)51(37(71)26(2)88-57)94-55-46(80)42(76)39(73)30(20-66)89-55/h9,25-26,28-58,66-83H,10-24H2,1-8H3

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
Caprifoliaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Patrinia scabiosaefolia 300888 Caprifoliaceae asterids Viridiplantae