PCIDB

KNApSAcK Metabolite C00042198

Metabolite

KNApSAcK Entry

id C00042198
Name Acutanguloside E / (-)-Acutanguloside E
CAS RN 849818-23-1
Standard InChI InChI=1S/C59H86O22/c1-10-27(2)49(72)81-47-46(80-50(73)28-14-12-11-13-15-28)54(3,4)22-30-29-16-17-34-56(7)20-19-36(55(5,6)33(56)18-21-57(34,8)58(29,9)23-35(63)59(30,47)26-61)76-53-45(79-52-41(68)39(66)38(65)32(24-60)75-52)43(42(69)44(78-53)48(70)71)77-51-40(67)37(64)31(62)25-74-51/h10-16,30-47,51-53,60-69H,17-26H2,1-9H3,(H,70,71)/b27-10-/t30-,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46-,47-,51-,52-,53+,56-,57+,58+,59-/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H86O22/c1-10-27(2)49(72)81-47-46(80-50(73)28-14-12-11-13-15-28)54(3,4)22-30-29-16-17-34-56(7)20-19-36(55(5,6)33(56)18-21-57(34,8)58(29,9)23-35(63)59(30,47)26-61)76-53-45(79-52-41(68)39(66)38(65)32(24-60)75-52)43(42(69)44(78-53)48(70)71)77-51-40(67)37(64)31(62)25-74-51/h10-16,30-47,51-53,60-69H,17-26H2,1-9H3,(H,70,71)

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