Metabolite

KNApSAcK Entry

id C00013098
Name Vernodesmin / [3aR-(3aalpha,4alpha,5aalpha,6beta,9beta,9aalpha,9bbeta,12R*)]-Octahydro-6,12-dihydroxy-3-methylene-2-oxo-9-phenyl-6H-5a,9-propano-2H-furo[2,3-f][2]benzopyran-4-yl ester 2-methyl-2-propenoic acid
CAS RN 58870-21-6
Standard InChI InChI=1S/C25H28O7/c1-13(2)21(27)31-16-11-25-17(26)9-10-24(12-30-23(25)29,15-7-5-4-6-8-15)20(25)19-18(16)14(3)22(28)32-19/h4-8,16-20,23,26,29H,1,3,9-12H2,2H3/t16-,17+,18+,19-,20-,23?,24+,25?/m0/s1
Standard InChI (Main Layer) InChI=1S/C25H28O7/c1-13(2)21(27)31-16-11-25-17(26)9-10-24(12-30-23(25)29,15-7-5-4-6-8-15)20(25)19-18(16)14(3)22(28)32-19/h4-8,16-20,23,26,29H,1,3,9-12H2,2H3

Cluster

Phytochemical cluster
KCF-S cluster No. 7774

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Vernonia pectoralis 13753 Asteraceae asterids Viridiplantae