PCIDB

KNApSAcK Metabolite C00047161

Metabolite

KNApSAcK Entry

id C00047161
Name Achlioniceoside A3
CAS RN 1094279-56-7
Standard InChI InChI=1S/C60H94O34S2/c1-23(2)27(62)12-17-59(8)33-13-16-58(7)25-10-11-32-56(4,5)35(14-15-57(32,6)26(25)18-34(63)60(33,58)55(74)94-59)90-54-49(39(67)29(20-82-54)87-51-42(70)40(68)36(64)30(88-51)21-83-95(75,76)77)93-50-43(71)41(69)46(24(3)85-50)91-53-45(73)48(38(66)31(89-53)22-84-96(78,79)80)92-52-44(72)47(81-9)37(65)28(19-61)86-52/h18,24-25,28-54,61,63-73H,1,10-17,19-22H2,2-9H3,(H,75,76,77)(H,78,79,80)/t24-,25-,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+,57-,58+,59+,60?/m1/s1
Standard InChI (Main Layer) InChI=1S/C60H94O34S2/c1-23(2)27(62)12-17-59(8)33-13-16-58(7)25-10-11-32-56(4,5)35(14-15-57(32,6)26(25)18-34(63)60(33,58)55(74)94-59)90-54-49(39(67)29(20-82-54)87-51-42(70)40(68)36(64)30(88-51)21-83-95(75,76)77)93-50-43(71)41(69)46(24(3)85-50)91-53-45(73)48(38(66)31(89-53)22-84-96(78,79)80)92-52-44(72)47(81-9)37(65)28(19-61)86-52/h18,24-25,28-54,61,63-73H,1,10-17,19-22H2,2-9H3,(H,75,76,77)(H,78,79,80)

Cluster

Phytochemical cluster
KCF-S cluster No. 72

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Elpidiidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Achlionice violaecuspidata 864676 Elpidiidae Metazoa