Metabolite

KNApSAcK Entry

id C00012131
Name [4R-(4R*,5S*,6S*,7S*,10R*,11E)]- 3-[(Acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-6,7-dihydroxy-5,6,10-trimethyl-4-(1-oxopropoxy)-7,10-epoxycyclodeca[b]furan-2(4H)-one
CAS RN 71305-76-5
Standard InChI InChI=1S/C21H28O9/c1-6-15(23)29-17-11(2)20(5,25)21(26)8-7-19(4,30-21)9-14-16(17)13(18(24)28-14)10-27-12(3)22/h9,11,17,25-26H,6-8,10H2,1-5H3/b14-9+
Standard InChI (Main Layer) InChI=1S/C21H28O9/c1-6-15(23)29-17-11(2)20(5,25)21(26)8-7-19(4,30-21)9-14-16(17)13(18(24)28-14)10-27-12(3)22/h9,11,17,25-26H,6-8,10H2,1-5H3

Cluster

Phytochemical cluster
KCF-S cluster No. 350

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 scorpioides 13753 Asteraceae asterids Viridiplantae