PCIDB

KNApSAcK Metabolite C00042197

Metabolite

KNApSAcK Entry

id C00042197
Name Acutanguloside D methyl ester / (-)-Acutanguloside D methyl ester
CAS RN 849637-45-2
Standard InChI InChI=1S/C62H86O22/c1-57(2)25-33-32-19-20-37-59(5)23-22-39(79-56-48(82-55-44(71)42(69)41(68)35(27-63)78-55)46(45(72)47(81-56)53(75)76-8)80-54-43(70)40(67)34(65)28-77-54)58(3,4)36(59)21-24-60(37,6)61(32,7)26-38(66)62(33,29-64)50(84-52(74)31-17-13-10-14-18-31)49(57)83-51(73)30-15-11-9-12-16-30/h9-19,33-50,54-56,63-72H,20-29H2,1-8H3/t33-,34+,35+,36-,37+,38+,39-,40-,41-,42-,43+,44+,45-,46-,47-,48+,49-,50-,54-,55-,56+,59-,60+,61+,62-/m0/s1
Standard InChI (Main Layer) InChI=1S/C62H86O22/c1-57(2)25-33-32-19-20-37-59(5)23-22-39(79-56-48(82-55-44(71)42(69)41(68)35(27-63)78-55)46(45(72)47(81-56)53(75)76-8)80-54-43(70)40(67)34(65)28-77-54)58(3,4)36(59)21-24-60(37,6)61(32,7)26-38(66)62(33,29-64)50(84-52(74)31-17-13-10-14-18-31)49(57)83-51(73)30-15-11-9-12-16-30/h9-19,33-50,54-56,63-72H,20-29H2,1-8H3

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