PCIDB

KNApSAcK Metabolite C00003722

Metabolite

KNApSAcK Entry

id C00003722
Name Nomilin
CAS RN 1063-77-0
Standard InChI InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1
Standard InChI (Main Layer) InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 204

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL500167

KEGG

By LinkDB C08773

CTD

By CAS RN C059405

Related Disease

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D056486 C059405 Drug-Induced Liver Injury marker/mechanism
2043152