PCIDB

KNApSAcK Metabolite C00039708

Metabolite

KNApSAcK Entry

id C00039708
Name Maesasaponin VI3 / (-)-Maesasaponin VI3
CAS RN 259869-30-2
Standard InChI InChI=1S/C65H102O29/c1-12-14-36(69)88-51-50(92-53(81)26(3)13-2)59(5,6)22-33-64-20-16-32-61(9)18-17-34(60(7,8)31(61)15-19-62(32,10)63(64,11)23-35(84-27(4)68)65(33,51)58(83)94-64)87-57-49(85-29-21-28(24-66)37(70)40(73)38(29)71)46(45(78)47(90-57)52(79)80)89-56-48(42(75)39(72)30(25-67)86-56)91-55-44(77)41(74)43(76)54(82)93-55/h13,28-35,37-51,54-58,66-67,70-78,82-83H,12,14-25H2,1-11H3,(H,79,80)/b26-13-/t28-,29-,30-,31+,32-,33+,34+,35-,37+,38+,39+,40+,41-,42+,43-,44-,45+,46+,47+,48-,49-,50+,51+,54-,55-,56+,57-,58+,61+,62-,63+,64+,65?/m1/s1
Standard InChI (Main Layer) InChI=1S/C65H102O29/c1-12-14-36(69)88-51-50(92-53(81)26(3)13-2)59(5,6)22-33-64-20-16-32-61(9)18-17-34(60(7,8)31(61)15-19-62(32,10)63(64,11)23-35(84-27(4)68)65(33,51)58(83)94-64)87-57-49(85-29-21-28(24-66)37(70)40(73)38(29)71)46(45(78)47(90-57)52(79)80)89-56-48(42(75)39(72)30(25-67)86-56)91-55-44(77)41(74)43(76)54(82)93-55/h13,28-35,37-51,54-58,66-67,70-78,82-83H,12,14-25H2,1-11H3,(H,79,80)

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