PCIDB

KNApSAcK Metabolite C00039804

Metabolite

KNApSAcK Entry

id C00039804
Name Murucoidin III / (-)-Murucoidin III
CAS RN 882691-10-3
Standard InChI InChI=1S/C56H96O24/c1-11-14-20-23-33-24-21-18-16-15-17-19-22-25-34(57)74-47-42(65)44(31(9)71-55(47)79-46-38(61)36(59)29(7)69-54(46)73-33)77-56-49(76-51(67)27(5)13-3)48(80-52-40(63)37(60)35(58)28(6)68-52)45(32(10)72-56)78-53-41(64)39(62)43(30(8)70-53)75-50(66)26(4)12-2/h26-33,35-49,52-56,58-65H,11-25H2,1-10H3/t26-,27-,28-,29+,30-,31-,32-,33-,35-,36-,37+,38-,39-,40+,41+,42+,43-,44-,45-,46+,47+,48+,49+,52-,53-,54-,55-,56-/m0/s1
Standard InChI (Main Layer) InChI=1S/C56H96O24/c1-11-14-20-23-33-24-21-18-16-15-17-19-22-25-34(57)74-47-42(65)44(31(9)71-55(47)79-46-38(61)36(59)29(7)69-54(46)73-33)77-56-49(76-51(67)27(5)13-3)48(80-52-40(63)37(60)35(58)28(6)68-52)45(32(10)72-56)78-53-41(64)39(62)43(30(8)70-53)75-50(66)26(4)12-2/h26-33,35-49,52-56,58-65H,11-25H2,1-10H3

Cluster

Phytochemical cluster
KCF-S cluster No. 87

Link

ChEMBL

By standard InChI CHEMBL504724
By standard InChI Main Layer CHEMBL504724

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Convolvulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Ipomoea murucoides 1393930 Convolvulaceae asterids Viridiplantae