PCIDB

KNApSAcK Metabolite C00048868

Metabolite

KNApSAcK Entry

id C00048868
Name Synaptoside A
CAS RN 1016274-53-5
Standard InChI InChI=1S/C60H94O31S/c1-23(2)18-25(62)19-59(8)32-13-16-58(7)27-10-11-31-56(4,5)33(14-15-57(31,6)26(27)12-17-60(32,58)55(75)91-59)86-54-48(36(65)29(21-80-54)84-51-39(68)37(66)34(63)30(85-51)22-81-92(76,77)78)90-50-40(69)38(67)44(24(3)82-50)87-52-43(72)46(35(64)28(20-61)83-52)88-53-42(71)45(79-9)41(70)47(89-53)49(73)74/h10,23-24,26,28-48,50-54,61,63-72H,11-22H2,1-9H3,(H,73,74)(H,76,77,78)/t24-,26+,28-,29-,30-,31+,32-,33+,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/C60H94O31S/c1-23(2)18-25(62)19-59(8)32-13-16-58(7)27-10-11-31-56(4,5)33(14-15-57(31,6)26(27)12-17-60(32,58)55(75)91-59)86-54-48(36(65)29(21-80-54)84-51-39(68)37(66)34(63)30(85-51)22-81-92(76,77)78)90-50-40(69)38(67)44(24(3)82-50)87-52-43(72)46(35(64)28(20-61)83-52)88-53-42(71)45(79-9)41(70)47(89-53)49(73)74/h10,23-24,26,28-48,50-54,61,63-72H,11-22H2,1-9H3,(H,73,74)(H,76,77,78)

Cluster

Phytochemical cluster
KCF-S cluster No. 72

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1615671

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