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M  END
> <ID>
CHEBI:31669

> <NAME>
hexestrol

> <STAR>
2

> <SYNONYM>
mesohexestrol; hormoestrol; hexoestrol; Hexestrol; hexestrofen; hexanoestrol; Exestrol; erythrohexestrol; dihydrodiethylstilbestrol; cycloestrol

> <FORMULA>
C18H22O2

> <MASS>
270.367

> <MONOISOTOPIC_MASS>
270.16198

> <CHARGE>
0

> <SMILES>
C=1C=C(C=CC1O)C(CC)C(CC)C2=CC=C(C=C2)O

> <INCHI>
InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3

> <INCHIKEY>
PBBGSZCBWVPOOL-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5635-50-7

> <KEGG_COMPOUND_ACCESSION>
C13101

> <KEGG_DRUG_ACCESSION>
D01641

> <LINCS_ACCESSION>
LSM-4300

$$$$