PCIDB

KNApSAcK Metabolite C00039707

Metabolite

KNApSAcK Entry

id C00039707
Name Maesasaponin VI2 / (-)-Maesasaponin VI2
CAS RN 259869-05-1
Standard InChI InChI=1S/C64H100O28/c1-12-25(3)51(79)89-48-49(90-52(80)26(4)13-2)64-32(21-58(48,5)6)63(92-57(64)82)19-15-31-60(9)17-16-34(59(7,8)30(60)14-18-61(31,10)62(63,11)22-33(64)67)85-56-47(83-28-20-27(23-65)35(68)38(71)36(28)69)44(43(76)45(87-56)50(77)78)86-55-46(40(73)37(70)29(24-66)84-55)88-54-42(75)39(72)41(74)53(81)91-54/h12-13,27-49,53-57,65-76,81-82H,14-24H2,1-11H3,(H,77,78)/b25-12-,26-13-/t27-,28-,29-,30+,31-,32+,33-,34+,35+,36+,37+,38+,39-,40+,41-,42-,43+,44+,45+,46-,47-,48+,49+,53-,54-,55+,56-,57+,60+,61-,62+,63+,64?/m1/s1
Standard InChI (Main Layer) InChI=1S/C64H100O28/c1-12-25(3)51(79)89-48-49(90-52(80)26(4)13-2)64-32(21-58(48,5)6)63(92-57(64)82)19-15-31-60(9)17-16-34(59(7,8)30(60)14-18-61(31,10)62(63,11)22-33(64)67)85-56-47(83-28-20-27(23-65)35(68)38(71)36(28)69)44(43(76)45(87-56)50(77)78)86-55-46(40(73)37(70)29(24-66)84-55)88-54-42(75)39(72)41(74)53(81)91-54/h12-13,27-49,53-57,65-76,81-82H,14-24H2,1-11H3,(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