PCIDB

KNApSAcK Metabolite C00039706

Metabolite

KNApSAcK Entry

id C00039706
Name Maesasaponin V3 / (-)-Maesasaponin V3
CAS RN 259868-89-8
Standard InChI InChI=1S/C63H100O28/c1-11-13-34(67)85-49-48(89-51(79)25(3)12-2)57(4,5)21-31-62-19-15-30-59(8)17-16-33(58(6,7)29(59)14-18-60(30,9)61(62,10)22-32(66)63(31,49)56(81)91-62)84-55-47(82-27-20-26(23-64)35(68)38(71)36(27)69)44(43(76)45(87-55)50(77)78)86-54-46(40(73)37(70)28(24-65)83-54)88-53-42(75)39(72)41(74)52(80)90-53/h12,26-33,35-49,52-56,64-66,68-76,80-81H,11,13-24H2,1-10H3,(H,77,78)/b25-12-/t26-,27-,28-,29+,30-,31+,32-,33+,35+,36+,37+,38+,39-,40+,41-,42-,43+,44+,45+,46-,47-,48+,49+,52-,53-,54+,55-,56+,59+,60-,61+,62+,63?/m1/s1
Standard InChI (Main Layer) InChI=1S/C63H100O28/c1-11-13-34(67)85-49-48(89-51(79)25(3)12-2)57(4,5)21-31-62-19-15-30-59(8)17-16-33(58(6,7)29(59)14-18-60(30,9)61(62,10)22-32(66)63(31,49)56(81)91-62)84-55-47(82-27-20-26(23-64)35(68)38(71)36(27)69)44(43(76)45(87-55)50(77)78)86-54-46(40(73)37(70)28(24-65)83-54)88-53-42(75)39(72)41(74)52(80)90-53/h12,26-33,35-49,52-56,64-66,68-76,80-81H,11,13-24H2,1-10H3,(H,77,78)

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
Maesa lanceolata 992730 Primulaceae asterids Viridiplantae