PCIDB

KNApSAcK Metabolite C00048474

Metabolite

KNApSAcK Entry

id C00048474
Name Macrocalyxin J
CAS RN 943898-28-0
Standard InChI InChI=1S/C22H28O8/c1-9-11-7-12(24)14-21-8-28-18(26)15(21)20(3,4)6-5-13(21)30-19(27)22(14,16(9)25)17(11)29-10(2)23/h11-15,17-18,24,26H,1,5-8H2,2-4H3
Standard InChI (Main Layer) InChI=1S/C22H28O8/c1-9-11-7-12(24)14-21-8-28-18(26)15(21)20(3,4)6-5-13(21)30-19(27)22(14,16(9)25)17(11)29-10(2)23/h11-15,17-18,24,26H,1,5-8H2,2-4H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 241

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
Isodon sinuolata 204130 Lamiaceae asterids Viridiplantae