PCIDB

KNApSAcK Metabolite C00039702

Metabolite

KNApSAcK Entry

id C00039702
Name Maesasaponin III / (-)-Maesasaponin III
CAS RN 259868-38-7
Standard InChI InChI=1S/C61H96O28/c1-11-23(2)49(77)87-46-47(80-24(3)64)61-30(19-55(46,4)5)60(89-54(61)79)17-13-29-57(8)15-14-32(56(6,7)28(57)12-16-58(29,9)59(60,10)20-31(61)65)83-53-45(81-26-18-25(21-62)33(66)36(69)34(26)67)42(41(74)43(85-53)48(75)76)84-52-44(38(71)35(68)27(22-63)82-52)86-51-40(73)37(70)39(72)50(78)88-51/h11,25-47,50-54,62-63,65-74,78-79H,12-22H2,1-10H3,(H,75,76)/b23-11-/t25-,26-,27-,28+,29-,30+,31-,32+,33+,34+,35+,36+,37-,38+,39-,40-,41+,42+,43+,44-,45-,46+,47+,50-,51-,52+,53-,54+,57+,58-,59+,60+,61?/m1/s1
Standard InChI (Main Layer) InChI=1S/C61H96O28/c1-11-23(2)49(77)87-46-47(80-24(3)64)61-30(19-55(46,4)5)60(89-54(61)79)17-13-29-57(8)15-14-32(56(6,7)28(57)12-16-58(29,9)59(60,10)20-31(61)65)83-53-45(81-26-18-25(21-62)33(66)36(69)34(26)67)42(41(74)43(85-53)48(75)76)84-52-44(38(71)35(68)27(22-63)82-52)86-51-40(73)37(70)39(72)50(78)88-51/h11,25-47,50-54,62-63,65-74,78-79H,12-22H2,1-10H3,(H,75,76)

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