PCIDB

KNApSAcK Metabolite C00039709

Metabolite

KNApSAcK Entry

id C00039709
Name Maesasaponin VII1 / (-)-Maesasaponin VII1
CAS RN 259869-31-3
Standard InChI InChI=1S/C66H102O29/c1-13-26(3)53(81)92-50-51(93-54(82)27(4)14-2)66-34(22-60(50,6)7)65(95-59(66)84)20-16-33-62(10)18-17-35(61(8,9)32(62)15-19-63(33,11)64(65,12)23-36(66)85-28(5)69)88-58-49(86-30-21-29(24-67)37(70)40(73)38(30)71)46(45(78)47(90-58)52(79)80)89-57-48(42(75)39(72)31(25-68)87-57)91-56-44(77)41(74)43(76)55(83)94-56/h13-14,29-51,55-59,67-68,70-78,83-84H,15-25H2,1-12H3,(H,79,80)/b26-13-,27-14-/t29-,30-,31-,32+,33-,34+,35+,36-,37+,38+,39+,40+,41-,42+,43-,44-,45+,46+,47+,48-,49-,50+,51+,55-,56-,57+,58-,59+,62+,63-,64+,65+,66?/m1/s1
Standard InChI (Main Layer) InChI=1S/C66H102O29/c1-13-26(3)53(81)92-50-51(93-54(82)27(4)14-2)66-34(22-60(50,6)7)65(95-59(66)84)20-16-33-62(10)18-17-35(61(8,9)32(62)15-19-63(33,11)64(65,12)23-36(66)85-28(5)69)88-58-49(86-30-21-29(24-67)37(70)40(73)38(30)71)46(45(78)47(90-58)52(79)80)89-57-48(42(75)39(72)31(25-68)87-57)91-56-44(77)41(74)43(76)55(83)94-56/h13-14,29-51,55-59,67-68,70-78,83-84H,15-25H2,1-12H3,(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