PCIDB

KNApSAcK Metabolite C00039108

Metabolite

KNApSAcK Entry

id C00039108
Name Enanderinanin J / (-)-Enanderinanin J
CAS RN 476677-49-3
Standard InChI InChI=1S/C44H56O14/c1-17(45)52-22-15-20-19-9-14-40(56-31(19)41-24(22)38-12-7-10-36(3,4)26(38)28(47)43(41,50)57-34(38)54-30(20)41)21-16-23(53-18(2)46)25-39-13-8-11-37(5,6)27(39)29(48)44(51)42(25,33(40)49)32(21)55-35(39)58-44/h20-30,32,34-35,47-48,50-51H,7-16H2,1-6H3/t20-,21+,22-,23-,24-,25-,26+,27+,28-,29-,30-,32-,34-,35-,38+,39+,40-,41+,42+,43+,44+/m0/s1
Standard InChI (Main Layer) InChI=1S/C44H56O14/c1-17(45)52-22-15-20-19-9-14-40(56-31(19)41-24(22)38-12-7-10-36(3,4)26(38)28(47)43(41,50)57-34(38)54-30(20)41)21-16-23(53-18(2)46)25-39-13-8-11-37(5,6)27(39)29(48)44(51)42(25,33(40)49)32(21)55-35(39)58-44/h20-30,32,34-35,47-48,50-51H,7-16H2,1-6H3

Cluster

Phytochemical cluster
KCF-S cluster No. 7428

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL400362

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 xerophilus 662931 Lamiaceae asterids Viridiplantae