PCIDB

KNApSAcK Metabolite C00042193

Metabolite

KNApSAcK Entry

id C00042193
Name Acutanguloside A / (-)-Acutanguloside A
CAS RN 849818-06-0
Standard InChI InChI=1S/C58H86O22/c1-26(2)48(71)80-46-45(79-49(72)27-13-11-10-12-14-27)53(3,4)21-29-28-15-16-33-55(7)19-18-35(54(5,6)32(55)17-20-56(33,8)57(28,9)22-34(62)58(29,46)25-60)75-52-44(78-51-40(67)38(65)37(64)31(23-59)74-51)42(41(68)43(77-52)47(69)70)76-50-39(66)36(63)30(61)24-73-50/h10-15,26,29-46,50-52,59-68H,16-25H2,1-9H3,(H,69,70)/t29-,30+,31+,32-,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45-,46-,50-,51-,52+,55-,56+,57+,58-/m0/s1
Standard InChI (Main Layer) InChI=1S/C58H86O22/c1-26(2)48(71)80-46-45(79-49(72)27-13-11-10-12-14-27)53(3,4)21-29-28-15-16-33-55(7)19-18-35(54(5,6)32(55)17-20-56(33,8)57(28,9)22-34(62)58(29,46)25-60)75-52-44(78-51-40(67)38(65)37(64)31(23-59)74-51)42(41(68)43(77-52)47(69)70)76-50-39(66)36(63)30(61)24-73-50/h10-15,26,29-46,50-52,59-68H,16-25H2,1-9H3,(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
asterids 1

Family

family name count

List (1)

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