PCIDB

KNApSAcK Metabolite C00010056

Metabolite

KNApSAcK Entry

id C00010056
Name Mirificoumestan hydrate / 3,9-Dihydroxy-8-methoxy-7-(3-hydroxy-3-methylbutyl)coumestan
CAS RN 114865-44-0
Standard InChI InChI=1S/C21H20O7/c1-21(2,25)7-6-12-16-15(9-13(23)18(12)26-3)27-19-11-5-4-10(22)8-14(11)28-20(24)17(16)19/h4-5,8-9,22-23,25H,6-7H2,1-3H3
Standard InChI (Main Layer) InChI=1S/C21H20O7/c1-21(2,25)7-6-12-16-15(9-13(23)18(12)26-3)27-19-11-5-4-10(22)8-14(11)28-20(24)17(16)19/h4-5,8-9,22-23,25H,6-7H2,1-3H3

Cluster

Phytochemical cluster No. 17
KCF-S cluster No. 582

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN