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Doisynoestrol

Properties

Image

Occurences in reactions

MNX_ID

MNXM51485

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

formula

C₁₉H₂₂O₃

charge

mass

298.15689

reference

InChIKey

HZZSXUIUESWVSS-PKOBYXMFSA-N

InChI

InChI=1S/C19H22O3/c1-4-17-16-7-5-12-11-13(22-3)6-8-14(12)15(16)9-10-19(17,2)18(20)21/h5-8,11,17H,4,9-10H2,1-3H3,(H,20,21)/t17-,19+/m0/s1

SMILES

CC[C@H]1c2ccc3cc(OC)ccc3c2CC[C@@]1(C)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:79951 chebi:79951 kegg.compound:C15453 keggC:C15453	Doisynoestrol cis-1-Ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid
seed.compound:cpd11143 seedM:cpd11143	Doisynoestrol cis-1-Ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-2- phenanthrenecarboxylic acid cis-1-Ethyl-1,2,3,4-tetrahydro-7-methoxy-2-methyl-2-phenanthrenecarboxylic acid
keggC:M_C15453 seedM:M_cpd11143	secondary/obsolete/fantasy identifier