PCIDB

KNApSAcK Metabolite C00042199

Metabolite

KNApSAcK Entry

id C00042199
Name Acutanguloside E methyl ester / (-)-Acutanguloside E methyl ester
CAS RN 849637-46-3
Standard InChI InChI=1S/C60H88O22/c1-11-28(2)49(71)82-48-47(81-50(72)29-15-13-12-14-16-29)55(3,4)23-31-30-17-18-35-57(7)21-20-37(56(5,6)34(57)19-22-58(35,8)59(30,9)24-36(64)60(31,48)27-62)77-54-46(80-53-42(69)40(67)39(66)33(25-61)76-53)44(43(70)45(79-54)51(73)74-10)78-52-41(68)38(65)32(63)26-75-52/h11-17,31-48,52-54,61-70H,18-27H2,1-10H3/b28-11-/t31-,32+,33+,34-,35+,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,52-,53-,54+,57-,58+,59+,60-/m0/s1
Standard InChI (Main Layer) InChI=1S/C60H88O22/c1-11-28(2)49(71)82-48-47(81-50(72)29-15-13-12-14-16-29)55(3,4)23-31-30-17-18-35-57(7)21-20-37(56(5,6)34(57)19-22-58(35,8)59(30,9)24-36(64)60(31,48)27-62)77-54-46(80-53-42(69)40(67)39(66)33(25-61)76-53)44(43(70)45(79-54)51(73)74-10)78-52-41(68)38(65)32(63)26-75-52/h11-17,31-48,52-54,61-70H,18-27H2,1-10H3

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