PCIDB

KNApSAcK Metabolite C00035215

Metabolite

KNApSAcK Entry

id C00035215
Name Anemosapogenin / 23-Hydroxybetulinic acid / 3beta,23-Dihydroxylup-20(29)-en-28-oic acid
CAS RN 85999-40-2
Standard InChI InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23-,24+,26-,27-,28+,29+,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 23

Link

ChEMBL

By standard InChI CHEMBL251308
By standard InChI Main Layer CHEMBL251308

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Rosmarinus officinalis L. 39177 Lamiaceae asterids Viridiplantae