PCIDB

KNApSAcK Metabolite C00029448

Metabolite

KNApSAcK Entry

id C00029448
Name 2-Acetoxycaesaldekarin e
CAS RN 106533-48-6
Standard InChI InChI=1S/C26H32O8/c1-13-17-8-10-26(30)24(5,6)22(33-15(3)28)21(32-14(2)27)23(34-16(4)29)25(26,7)19(17)12-20-18(13)9-11-31-20/h9,11-12,21-23,30H,8,10H2,1-7H3/t21-,22+,23-,25-,26+/m0/s1
Standard InChI (Main Layer) InChI=1S/C26H32O8/c1-13-17-8-10-26(30)24(5,6)22(33-15(3)28)21(32-14(2)27)23(34-16(4)29)25(26,7)19(17)12-20-18(13)9-11-31-20/h9,11-12,21-23,30H,8,10H2,1-7H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1064

Link

ChEMBL

By standard InChI CHEMBL463937
By standard InChI Main Layer CHEMBL463937

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 2

Family

family name count
Fabaceae 2

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Caesalpinia bonduc 191881 Fabaceae rosids Viridiplantae
Caesalpinia crista 509004 Fabaceae rosids Viridiplantae