PCIDB

KNApSAcK Metabolite C00042896

Metabolite

KNApSAcK Entry

id C00042896
Name Pursaethoside E / (-)-Pursaethoside E
CAS RN 865364-27-8
Standard InChI InChI=1S/C70H113NO36/c1-27(76)71-38-48(104-57-45(85)40(80)31(78)21-95-57)42(82)34(22-96-56-44(84)39(79)30(77)20-94-56)101-55(38)102-37-12-13-65(6)35(64(37,4)5)11-14-66(7)36(65)10-9-28-29-17-63(2,3)15-16-70(29,52(88)51(87)67(28,66)8)62(91)107-59-50(106-61-54(90)69(93,24-75)26-98-61)49(105-60-53(89)68(92,23-74)25-97-60)47(33(19-73)100-59)103-58-46(86)43(83)41(81)32(18-72)99-58/h9,29-61,72-75,77-90,92-93H,10-26H2,1-8H3,(H,71,76)/t29-,30-,31+,32+,33+,34+,35-,36+,37-,38+,39-,40-,41+,42+,43-,44+,45+,46+,47+,48+,49-,50+,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,65-,66+,67-,68+,69+,70+/m0/s1
Standard InChI (Main Layer) InChI=1S/C70H113NO36/c1-27(76)71-38-48(104-57-45(85)40(80)31(78)21-95-57)42(82)34(22-96-56-44(84)39(79)30(77)20-94-56)101-55(38)102-37-12-13-65(6)35(64(37,4)5)11-14-66(7)36(65)10-9-28-29-17-63(2,3)15-16-70(29,52(88)51(87)67(28,66)8)62(91)107-59-50(106-61-54(90)69(93,24-75)26-98-61)49(105-60-53(89)68(92,23-74)25-97-60)47(33(19-73)100-59)103-58-46(86)43(83)41(81)32(18-72)99-58/h9,29-61,72-75,77-90,92-93H,10-26H2,1-8H3,(H,71,76)

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
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Entada pursaetha 148696 Fabaceae rosids Viridiplantae