PCIDB

KNApSAcK Metabolite C00041609

Metabolite

KNApSAcK Entry

id C00041609
Name Isoobacunoic acid
CAS RN 751-28-0
Standard InChI InChI=1S/C26H32O8/c1-22(2)15-10-16(27)25(5)14(24(15,4)17(33-22)11-18(28)29)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-15,17,19-20H,6,8,10-11H2,1-5H3,(H,28,29)/t14-,15+,17+,19+,20-,23+,24-,25+,26-/m1/s1
Standard InChI (Main Layer) InChI=1S/C26H32O8/c1-22(2)15-10-16(27)25(5)14(24(15,4)17(33-22)11-18(28)29)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-15,17,19-20H,6,8,10-11H2,1-5H3,(H,28,29)

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

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