PCIDB

KNApSAcK Metabolite C00048640

Metabolite

KNApSAcK Entry

id C00048640
Name CAY-1
CAS RN 318277-23-5
Standard InChI InChI=1S/C57H94O29/c1-20-7-10-57(75-19-20)21(2)34-28(86-57)12-25-23-6-5-22-11-27(26(63)13-56(22,4)24(23)8-9-55(25,34)3)76-50-44(73)41(70)46(33(18-62)81-50)82-54-49(85-52-43(72)40(69)36(65)30(15-59)78-52)48(38(67)32(17-61)80-54)84-53-45(74)47(37(66)31(16-60)79-53)83-51-42(71)39(68)35(64)29(14-58)77-51/h20-54,58-74H,5-19H2,1-4H3/t20-,21+,22+,23-,24+,25+,26-,27-,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+,56+,57-/m1/s1
Standard InChI (Main Layer) InChI=1S/C57H94O29/c1-20-7-10-57(75-19-20)21(2)34-28(86-57)12-25-23-6-5-22-11-27(26(63)13-56(22,4)24(23)8-9-55(25,34)3)76-50-44(73)41(70)46(33(18-62)81-50)82-54-49(85-52-43(72)40(69)36(65)30(15-59)78-52)48(38(67)32(17-61)80-54)84-53-45(74)47(37(66)31(16-60)79-53)83-51-42(71)39(68)35(64)29(14-58)77-51/h20-54,58-74H,5-19H2,1-4H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1988088

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Solanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Capsicum frutescens 4073 Solanaceae asterids Viridiplantae