PCIDB

KNApSAcK Metabolite C00047062

Metabolite

KNApSAcK Entry

id C00047062
Name Ligatoside B
CAS RN 269055-81-4
Standard InChI InChI=1S/C57H84O24/c1-52(2)17-18-57(51(72)81-49-44(39(65)37(63)31(23-59)76-49)78-47(71)25-9-11-28(73-7)29(19-25)74-8)27(20-52)26-10-12-33-53(3)15-14-35(54(4,24-60)32(53)13-16-55(33,5)56(26,6)21-34(57)61)77-50-45(41(67)40(66)43(79-50)46(69)70)80-48-42(68)38(64)36(62)30(22-58)75-48/h9-11,19,27,30-45,48-50,58-68H,12-18,20-24H2,1-8H3,(H,69,70)/t27-,30+,31+,32+,33+,34+,35-,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+,48-,49-,50+,53-,54-,55+,56+,57+/m0/s1
Standard InChI (Main Layer) InChI=1S/C57H84O24/c1-52(2)17-18-57(51(72)81-49-44(39(65)37(63)31(23-59)76-49)78-47(71)25-9-11-28(73-7)29(19-25)74-8)27(20-52)26-10-12-33-53(3)15-14-35(54(4,24-60)32(53)13-16-55(33,5)56(26,6)21-34(57)61)77-50-45(41(67)40(66)43(79-50)46(69)70)80-48-42(68)38(64)36(62)30(22-58)75-48/h9-11,19,27,30-45,48-50,58-68H,12-18,20-24H2,1-8H3,(H,69,70)

Cluster

Phytochemical cluster
KCF-S cluster No. 136

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
Chrysomelidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Platyphora ligata 172886 Chrysomelidae Metazoa