PCIDB

KNApSAcK Metabolite C00039705

Metabolite

KNApSAcK Entry

id C00039705
Name Maesasaponin V2
CAS RN 259868-88-7
Standard InChI InChI=1S/C64H100O29/c1-12-25(3)52(80)91-49-50(87-35(68)13-2)64-32(21-58(49,5)6)63(93-57(64)82)19-15-31-60(9)17-16-33(59(7,8)30(60)14-18-61(31,10)62(63,11)22-34(64)83-26(4)67)86-56-48(84-28-20-27(23-65)36(69)39(72)37(28)70)45(44(77)46(89-56)51(78)79)88-55-47(41(74)38(71)29(24-66)85-55)90-54-43(76)40(73)42(75)53(81)92-54/h12,27-34,36-50,53-57,65-66,69-77,81-82H,13-24H2,1-11H3,(H,78,79)/b25-12-/t27-,28-,29-,30+,31-,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44+,45+,46+,47-,48-,49+,50+,53-,54-,55+,56-,57+,60+,61-,62+,63+,64?/m1/s1
Standard InChI (Main Layer) InChI=1S/C64H100O29/c1-12-25(3)52(80)91-49-50(87-35(68)13-2)64-32(21-58(49,5)6)63(93-57(64)82)19-15-31-60(9)17-16-33(59(7,8)30(60)14-18-61(31,10)62(63,11)22-34(64)83-26(4)67)86-56-48(84-28-20-27(23-65)36(69)39(72)37(28)70)45(44(77)46(89-56)51(78)79)88-55-47(41(74)38(71)29(24-66)85-55)90-54-43(76)40(73)42(75)53(81)92-54/h12,27-34,36-50,53-57,65-66,69-77,81-82H,13-24H2,1-11H3,(H,78,79)

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