PCIDB

KNApSAcK Metabolite C00049216

Metabolite

KNApSAcK Entry

id C00049216
Name Maejaposide E / (-)-Maejaposide E
CAS RN 221467-44-3
Standard InChI InChI=1S/C70H110O32/c1-12-14-15-16-38(75)95-55-54(101-57(88)28(3)13-2)64(5,6)23-35-69-22-18-34-66(9)20-19-37(65(7,8)33(66)17-21-67(34,10)68(69,11)24-36(74)70(35,55)63(89)102-69)94-62-53(100-59-47(84)43(80)41(78)31(25-71)92-59)49(48(85)50(97-62)56(86)87)96-61-52(45(82)42(79)32(26-72)93-61)99-60-51(44(81)39(76)29(4)91-60)98-58-46(83)40(77)30(73)27-90-58/h13,15-16,29-37,39-55,58-63,71-74,76-85,89H,12,14,17-27H2,1-11H3,(H,86,87)/b16-15-,28-13-/t29-,30+,31+,32+,33-,34+,35-,36+,37-,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49-,50-,51+,52+,53+,54-,55-,58-,59-,60-,61-,62+,63-,66-,67+,68-,69-,70-/m0/s1
Standard InChI (Main Layer) InChI=1S/C70H110O32/c1-12-14-15-16-38(75)95-55-54(101-57(88)28(3)13-2)64(5,6)23-35-69-22-18-34-66(9)20-19-37(65(7,8)33(66)17-21-67(34,10)68(69,11)24-36(74)70(35,55)63(89)102-69)94-62-53(100-59-47(84)43(80)41(78)31(25-71)92-59)49(48(85)50(97-62)56(86)87)96-61-52(45(82)42(79)32(26-72)93-61)99-60-51(44(81)39(76)29(4)91-60)98-58-46(83)40(77)30(73)27-90-58/h13,15-16,29-37,39-55,58-63,71-74,76-85,89H,12,14,17-27H2,1-11H3,(H,86,87)

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 japonica 175026 Primulaceae asterids Viridiplantae