PCIDB

KNApSAcK Metabolite C00012106

Metabolite

KNApSAcK Entry

id C00012106
Name 9alpha-Hydroxyparthenolide
CAS RN 78146-51-7
Standard InChI InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11-,12-,13-,15+/m0/s1
Standard InChI (Main Layer) InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 227

Link

ChEMBL

By standard InChI CHEMBL462949
By standard InChI Main Layer CHEMBL464587 CHEMBL462949 CHEMBL1969868 CHEMBL1990954 CHEMBL1993813

KEGG

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CTD

By CAS RN