PCIDB

KNApSAcK Metabolite C00022429

Metabolite

KNApSAcK Entry

id C00022429
Name Rupestralic acid
CAS RN 65408-90-4
Standard InChI InChI=1S/C20H24O6/c1-10-12(6-5-11-9-13(21)25-17(11)23)19(2)7-4-8-20(3)16(19)15(14(10)22)26-18(20)24/h9,13,15-16,21H,4-8H2,1-3H3/t13?,15-,16?,19-,20+/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H24O6/c1-10-12(6-5-11-9-13(21)25-17(11)23)19(2)7-4-8-20(3)16(19)15(14(10)22)26-18(20)24/h9,13,15-16,21H,4-8H2,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4201

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

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
Ballota rupestris 155228 Lamiaceae asterids Viridiplantae