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3-O-Methylcoumestrol

Properties

Image

Occurences in reactions

MNX_ID

MNXM117584

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₆H₁₀O₅

charge

mass

282.05282

reference

InChIKey

YQBVKPREVBFWSA-UHFFFAOYSA-N

InChI

InChI=1S/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3

SMILES

COc1ccc2c(c1)oc(=O)c1c3ccc(O)cc3oc21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174678 chebi:174678	3-O-Methylcoumestrol 9-hydroxy-3-methoxy-[1]benzouro[3,2-c]chromen-6-one
hmdb:HMDB0029584	3-O-Methylcoumestrol 14-hydroxy-5-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
hmdb:HMDB29584	secondary/obsolete/fantasy identifier