PCIDB

KNApSAcK Metabolite C00040605

Metabolite

KNApSAcK Entry

id C00040605
Name Ursolaldehyde / 3beta-Hydroxyurs-12-en-28-aldehyde
CAS RN 19132-81-1
Standard InChI InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H48O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,18-20,22-25,32H,9-17H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 13

Link

ChEMBL

By standard InChI CHEMBL465571
By standard InChI Main Layer CHEMBL465571

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1
asterids 1

Family

family name count
Myrtaceae 1
Apocynaceae 1

List (2)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Melaleuca ericifolia 73757 Myrtaceae rosids Viridiplantae
Nerium oleander 63479 Apocynaceae asterids Viridiplantae