PCIDB

KNApSAcK Metabolite C00042122

Metabolite

KNApSAcK Entry

id C00042122
Name 3-Deacetoxycaesaldekarin e
CAS RN 18326-06-2
Standard InChI InChI=1S/C24H30O6/c1-13-16-7-9-24(27)22(4,5)12-20(29-14(2)25)21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10-11,20-21,27H,7,9,12H2,1-6H3/t20-,21-,23-,24+/m0/s1
Standard InChI (Main Layer) InChI=1S/C24H30O6/c1-13-16-7-9-24(27)22(4,5)12-20(29-14(2)25)21(30-15(3)26)23(24,6)18(16)11-19-17(13)8-10-28-19/h8,10-11,20-21,27H,7,9,12H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1064

Link

ChEMBL

By standard InChI CHEMBL458028
By standard InChI Main Layer CHEMBL458028

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
Caesalpinia crista 509004 Fabaceae rosids Viridiplantae