PCIDB

KNApSAcK Metabolite C00046053

Metabolite

KNApSAcK Entry

id C00046053
Name Junceoside A
CAS RN 393085-14-8
Standard InChI InChI=1S/C70H110O36/c1-25-36(76)43(83)54(104-61-49(89)52(102-60-47(87)42(82)40(80)32(21-72)98-60)50(26(2)96-61)100-57-44(84)37(77)29(74)22-93-57)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(105-58-45(85)38(78)30(75)23-94-58)51(48(88)53(103-63)56(90)91)101-59-46(86)41(81)39(79)31(20-71)97-59/h9,24-26,28-55,57-63,71-72,74-89H,10-23H2,1-8H3,(H,90,91)/t25-,26+,28+,29-,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-,57+,58+,59+,60+,61+,62+,63-,66+,67+,68-,69-,70+/m1/s1
Standard InChI (Main Layer) InChI=1S/C70H110O36/c1-25-36(76)43(83)54(104-61-49(89)52(102-60-47(87)42(82)40(80)32(21-72)98-60)50(26(2)96-61)100-57-44(84)37(77)29(74)22-93-57)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(105-58-45(85)38(78)30(75)23-94-58)51(48(88)53(103-63)56(90)91)101-59-46(86)41(81)39(79)31(20-71)97-59/h9,24-26,28-55,57-63,71-72,74-89H,10-23H2,1-8H3,(H,90,91)

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
eudicotyledons 1

Family

family name count
Caryophyllaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Arenaria juncea 3568 Caryophyllaceae eudicotyledons Viridiplantae