PCIDB

KNApSAcK Metabolite C00019000

Metabolite

KNApSAcK Entry

id C00019000
Name (3beta,4alpha,22beta)-22-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid
CAS RN 441045-23-4
Standard InChI InChI=1S/C59H96O26/c1-23-33(63)37(67)42(72)49(77-23)83-45-35(65)27(62)21-76-51(45)81-32-19-54(3,4)18-26-25-10-11-30-56(6)14-13-31(57(7,22-61)29(56)12-15-59(30,9)58(25,8)17-16-55(26,32)5)80-53-47(41(71)40(70)44(82-53)48(74)75)85-52-46(39(69)36(66)28(20-60)79-52)84-50-43(73)38(68)34(64)24(2)78-50/h10,23-24,26-47,49-53,60-73H,11-22H2,1-9H3,(H,74,75)/t23?,24?,26?,27-,28?,29?,30?,31-,32+,33-,34-,35+,36-,37+,38+,39-,40-,41-,42?,43?,44?,45?,46?,47?,49-,50-,51-,52-,53+,55+,56-,57-,58+,59+/m0/s1
Standard InChI (Main Layer) InChI=1S/C59H96O26/c1-23-33(63)37(67)42(72)49(77-23)83-45-35(65)27(62)21-76-51(45)81-32-19-54(3,4)18-26-25-10-11-30-56(6)14-13-31(57(7,22-61)29(56)12-15-59(30,9)58(25,8)17-16-55(26,32)5)80-53-47(41(71)40(70)44(82-53)48(74)75)85-52-46(39(69)36(66)28(20-60)79-52)84-50-43(73)38(68)34(64)24(2)78-50/h10,23-24,26-47,49-53,60-73H,11-22H2,1-9H3,(H,74,75)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL510721

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Glycine max 3847 Fabaceae rosids Viridiplantae