PCIDB

KNApSAcK Metabolite C00042200

Metabolite

KNApSAcK Entry

id C00042200
Name Acutanguloside F / (-)-Acutanguloside F
CAS RN 849818-26-4
Standard InChI InChI=1S/C57H88O22/c1-12-25(3)47(70)78-44-45(79-48(71)26(4)13-2)57(24-59)28(20-52(44,5)6)27-14-15-32-54(9)18-17-34(53(7,8)31(54)16-19-55(32,10)56(27,11)21-33(57)61)74-51-43(77-50-39(66)37(64)36(63)30(22-58)73-50)41(40(67)42(76-51)46(68)69)75-49-38(65)35(62)29(60)23-72-49/h12-14,28-45,49-51,58-67H,15-24H2,1-11H3,(H,68,69)/b25-12-,26-13-/t28-,29+,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-,45-,49-,50-,51+,54-,55+,56+,57-/m0/s1
Standard InChI (Main Layer) InChI=1S/C57H88O22/c1-12-25(3)47(70)78-44-45(79-48(71)26(4)13-2)57(24-59)28(20-52(44,5)6)27-14-15-32-54(9)18-17-34(53(7,8)31(54)16-19-55(32,10)56(27,11)21-33(57)61)74-51-43(77-50-39(66)37(64)36(63)30(22-58)73-50)41(40(67)42(76-51)46(68)69)75-49-38(65)35(62)29(60)23-72-49/h12-14,28-45,49-51,58-67H,15-24H2,1-11H3,(H,68,69)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Barringtonia acutangula 1090620 asterids Viridiplantae