PCIDB

KNApSAcK Metabolite C00010992

Metabolite

KNApSAcK Entry

id C00010992
Name [3S-(3alpha,3abeta,7alpha,7abeta)]-7-dimethyl-3,7a-bis(acetyloxy)hexahydro-3a 1,4-Isobenzofurandione
CAS RN 115783-50-1
Standard InChI InChI=1S/C14H18O7/c1-7-5-6-10(17)13(4)12(19-8(2)15)20-11(18)14(7,13)21-9(3)16/h7,12H,5-6H2,1-4H3/t7-,12-,13-,14-/m0/s1
Standard InChI (Main Layer) InChI=1S/C14H18O7/c1-7-5-6-10(17)13(4)12(19-8(2)15)20-11(18)14(7,13)21-9(3)16/h7,12H,5-6H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 2590

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
Nepeta tuberosa 39349 Lamiaceae asterids Viridiplantae