PCIDB

KNApSAcK Metabolite C00042196

Metabolite

KNApSAcK Entry

id C00042196
Name Acutanguloside D / (-)-Acutanguloside D
CAS RN 849818-20-8
Standard InChI InChI=1S/C61H84O22/c1-56(2)24-32-31-18-19-36-58(5)22-21-38(78-55-47(81-54-43(70)41(68)40(67)34(26-62)77-54)45(44(71)46(80-55)50(72)73)79-53-42(69)39(66)33(64)27-76-53)57(3,4)35(58)20-23-59(36,6)60(31,7)25-37(65)61(32,28-63)49(83-52(75)30-16-12-9-13-17-30)48(56)82-51(74)29-14-10-8-11-15-29/h8-18,32-49,53-55,62-71H,19-28H2,1-7H3,(H,72,73)/t32-,33+,34+,35-,36+,37+,38-,39-,40-,41-,42+,43+,44-,45-,46-,47+,48-,49-,53-,54-,55+,58-,59+,60+,61-/m0/s1
Standard InChI (Main Layer) InChI=1S/C61H84O22/c1-56(2)24-32-31-18-19-36-58(5)22-21-38(78-55-47(81-54-43(70)41(68)40(67)34(26-62)77-54)45(44(71)46(80-55)50(72)73)79-53-42(69)39(66)33(64)27-76-53)57(3,4)35(58)20-23-59(36,6)60(31,7)25-37(65)61(32,28-63)49(83-52(75)30-16-12-9-13-17-30)48(56)82-51(74)29-14-10-8-11-15-29/h8-18,32-49,53-55,62-71H,19-28H2,1-7H3,(H,72,73)

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