PCIDB

KNApSAcK Metabolite C00048869

Metabolite

KNApSAcK Entry

id C00048869
Name Synaptoside A1
CAS RN 1016274-54-6
Standard InChI InChI=1S/C60H92O32S/c1-22(2)16-24(62)18-59(8)30-11-14-58(7)33-25(10-15-60(30,58)55(76)92-59)57(6)13-12-32(56(4,5)31(57)17-26(33)63)87-54-48(36(66)28(20-81-54)85-51-39(69)37(67)34(64)29(86-51)21-82-93(77,78)79)91-50-40(70)38(68)44(23(3)83-50)88-52-43(73)46(35(65)27(19-61)84-52)89-53-42(72)45(80-9)41(71)47(90-53)49(74)75/h22-23,27-32,34-48,50-54,61,64-73H,10-21H2,1-9H3,(H,74,75)(H,77,78,79)/t23-,27-,28-,29-,30-,31+,32+,34-,35-,36+,37+,38-,39-,40-,41+,42-,43-,44-,45+,46+,47+,48-,50+,51-,52+,53-,54?,57-,58+,59+,60-/m1/s1
Standard InChI (Main Layer) InChI=1S/C60H92O32S/c1-22(2)16-24(62)18-59(8)30-11-14-58(7)33-25(10-15-60(30,58)55(76)92-59)57(6)13-12-32(56(4,5)31(57)17-26(33)63)87-54-48(36(66)28(20-81-54)85-51-39(69)37(67)34(64)29(86-51)21-82-93(77,78)79)91-50-40(70)38(68)44(23(3)83-50)88-52-43(73)46(35(65)27(19-61)84-52)89-53-42(72)45(80-9)41(71)47(90-53)49(74)75/h22-23,27-32,34-48,50-54,61,64-73H,10-21H2,1-9H3,(H,74,75)(H,77,78,79)

Cluster

Phytochemical cluster
KCF-S cluster No. 72

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1615800

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Synapta maculata 24966 Rubiaceae asterids Viridiplantae