PCIDB

KNApSAcK Metabolite C00013531

Metabolite

KNApSAcK Entry

id C00013531
Name 2-(1,3-Benzodioxol-5-yl)-3,5,6,8-tetramethoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
CAS RN 244260-17-1
Standard InChI InChI=1S/C25H26O9/c1-13(2)9-10-31-25-23(29-5)20(27-3)17-18(26)22(28-4)19(34-21(17)24(25)30-6)14-7-8-15-16(11-14)33-12-32-15/h7-9,11H,10,12H2,1-6H3
Standard InChI (Main Layer) InChI=1S/C25H26O9/c1-13(2)9-10-31-25-23(29-5)20(27-3)17-18(26)22(28-4)19(34-21(17)24(25)30-6)14-7-8-15-16(11-14)33-12-32-15/h7-9,11H,10,12H2,1-6H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 8

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rutaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Comptonella microcarpa 1226062 Rutaceae rosids Viridiplantae