PCIDB

KNApSAcK Metabolite C00041711

Metabolite

KNApSAcK Entry

id C00041711
Name Operculinic acid A / (-)-Operculinic acid A
CAS RN 120583-62-2
Standard InChI InChI=1S/C46H82O24/c1-6-7-13-16-24(17-14-11-9-8-10-12-15-18-26(48)49)65-46-41(32(55)28(51)21(3)62-46)70-43-36(59)33(56)38(22(4)63-43)67-45-37(60)40(69-44-35(58)31(54)29(52)25(19-47)66-44)39(23(5)64-45)68-42-34(57)30(53)27(50)20(2)61-42/h20-25,27-47,50-60H,6-19H2,1-5H3,(H,48,49)/t20-,21+,22-,23-,24-,25+,27-,28-,29+,30+,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42-,43-,44-,45-,46-/m0/s1
Standard InChI (Main Layer) InChI=1S/C46H82O24/c1-6-7-13-16-24(17-14-11-9-8-10-12-15-18-26(48)49)65-46-41(32(55)28(51)21(3)62-46)70-43-36(59)33(56)38(22(4)63-43)67-45-37(60)40(69-44-35(58)31(54)29(52)25(19-47)66-44)39(23(5)64-45)68-42-34(57)30(53)27(50)20(2)61-42/h20-25,27-47,50-60H,6-19H2,1-5H3,(H,48,49)

Cluster

Phytochemical cluster
KCF-S cluster No. 697

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
Convolvulaceae 1

List (1)

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