PCIDB

KNApSAcK Metabolite C00043721

Metabolite

KNApSAcK Entry

id C00043721
Name Microtoenin A / (-)-Microtoenin A
CAS RN 721395-31-9
Standard InChI InChI=1S/C47H66N8O9/c1-26(2)23-33-41(58)51-35(25-31-17-19-32(56)20-18-31)47(64)55-22-12-15-36(55)42(59)52-38(27(3)4)44(61)48-29(7)40(57)50-34(24-30-13-9-8-10-14-30)46(63)54-21-11-16-37(54)43(60)53-39(28(5)6)45(62)49-33/h8-10,13-14,17-20,26-29,33-39,56H,11-12,15-16,21-25H2,1-7H3,(H,48,61)(H,49,62)(H,50,57)(H,51,58)(H,52,59)(H,53,60)/t29-,33-,34-,35-,36-,37-,38-,39-/m0/s1
Standard InChI (Main Layer) InChI=1S/C47H66N8O9/c1-26(2)23-33-41(58)51-35(25-31-17-19-32(56)20-18-31)47(64)55-22-12-15-36(55)42(59)52-38(27(3)4)44(61)48-29(7)40(57)50-34(24-30-13-9-8-10-14-30)46(63)54-21-11-16-37(54)43(60)53-39(28(5)6)45(62)49-33/h8-10,13-14,17-20,26-29,33-39,56H,11-12,15-16,21-25H2,1-7H3,(H,48,61)(H,49,62)(H,50,57)(H,51,58)(H,52,59)(H,53,60)

Cluster

Phytochemical cluster
KCF-S cluster No. 498

Link

ChEMBL

By standard InChI CHEMBL452942
By standard InChI Main Layer CHEMBL452942

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
Microtoena prainiana 694372 Lamiaceae asterids Viridiplantae