PCIDB

KNApSAcK Metabolite C00039703

Metabolite

KNApSAcK Entry

id C00039703
Name Maesasaponin IV2 / (-)-Maesasaponin IV2
CAS RN 259868-68-3
Standard InChI InChI=1S/C63H98O29/c1-12-24(2)51(79)90-48-49(83-26(4)67)63-32(20-57(48,5)6)62(92-56(63)81)18-14-31-59(9)16-15-33(58(7,8)30(59)13-17-60(31,10)61(62,11)21-34(63)82-25(3)66)86-55-47(84-28-19-27(22-64)35(68)38(71)36(28)69)44(43(76)45(88-55)50(77)78)87-54-46(40(73)37(70)29(23-65)85-54)89-53-42(75)39(72)41(74)52(80)91-53/h12,27-49,52-56,64-65,68-76,80-81H,13-23H2,1-11H3,(H,77,78)/b24-12-/t27-,28-,29-,30+,31-,32+,33+,34-,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/C63H98O29/c1-12-24(2)51(79)90-48-49(83-26(4)67)63-32(20-57(48,5)6)62(92-56(63)81)18-14-31-59(9)16-15-33(58(7,8)30(59)13-17-60(31,10)61(62,11)21-34(63)82-25(3)66)86-55-47(84-28-19-27(22-64)35(68)38(71)36(28)69)44(43(76)45(88-55)50(77)78)87-54-46(40(73)37(70)29(23-65)85-54)89-53-42(75)39(72)41(74)52(80)91-53/h12,27-49,52-56,64-65,68-76,80-81H,13-23H2,1-11H3,(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