PCIDB

KNApSAcK Metabolite C00046054

Metabolite

KNApSAcK Entry

id C00046054
Name Junceoside B
CAS RN 393085-15-9
Standard InChI InChI=1S/C69H108O35/c1-25-36(75)41(80)53(102-59-46(85)42(81)49(26(2)95-59)98-58-48(87)50(31(74)23-93-58)99-56-43(82)37(76)29(72)21-91-56)61(94-25)104-63(90)69-17-15-64(3,4)19-28(69)27-9-10-34-65(5)13-12-35(66(6,24-71)33(65)11-14-68(34,8)67(27,7)16-18-69)97-62-54(103-57-44(83)38(77)30(73)22-92-57)51(47(86)52(101-62)55(88)89)100-60-45(84)40(79)39(78)32(20-70)96-60/h9,24-26,28-54,56-62,70,72-87H,10-23H2,1-8H3,(H,88,89)/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-,56+,57+,58+,59+,60+,61+,62-,65+,66+,67-,68-,69+/m1/s1
Standard InChI (Main Layer) InChI=1S/C69H108O35/c1-25-36(75)41(80)53(102-59-46(85)42(81)49(26(2)95-59)98-58-48(87)50(31(74)23-93-58)99-56-43(82)37(76)29(72)21-91-56)61(94-25)104-63(90)69-17-15-64(3,4)19-28(69)27-9-10-34-65(5)13-12-35(66(6,24-71)33(65)11-14-68(34,8)67(27,7)16-18-69)97-62-54(103-57-44(83)38(77)30(73)22-92-57)51(47(86)52(101-62)55(88)89)100-60-45(84)40(79)39(78)32(20-70)96-60/h9,24-26,28-54,56-62,70,72-87H,10-23H2,1-8H3,(H,88,89)

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