PCIDB

KNApSAcK Metabolite C00033259

Metabolite

KNApSAcK Entry

id C00033259
Name Obacunoic acid
CAS RN 751-29-1
Standard InChI InChI=1S/C26H32O8/c1-22(2,31)16-12-17(27)25(5)15(23(16,3)9-7-18(28)29)6-10-24(4)19(14-8-11-32-13-14)33-21(30)20-26(24,25)34-20/h7-9,11,13,15-16,19-20,31H,6,10,12H2,1-5H3,(H,28,29)/b9-7+/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
Standard InChI (Main Layer) InChI=1S/C26H32O8/c1-22(2,31)16-12-17(27)25(5)15(23(16,3)9-7-18(28)29)6-10-24(4)19(14-8-11-32-13-14)33-21(30)20-26(24,25)34-20/h7-9,11,13,15-16,19-20,31H,6,10,12H2,1-5H3,(H,28,29)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 204

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL484838 CHEMBL1865426

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rutaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Citrus sudachi 558546 Rutaceae rosids Viridiplantae