2-Hydroxyestrone sulfate (CHEBI:175686)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-Hydroxyestrone sulfate

ChEBI ID	CHEBI:175686

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O6S

Net Charge

Average Mass

366.430

Monoisotopic Mass

366.11371

InChI

InChI=1S/C18H22O6S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16(24-25(21,22)23)15(19)9-13(10)11/h8-9,11-12,14,19H,2-7H2,1H3,(H,21,22,23)

InChIKey

DTMWSKSAMRZGQH-UHFFFAOYSA-N

SMILES

S(OC=1C=C2C(C3C(C4C(CC3)(C(=O)CC4)C)CC2)=CC1O)(O)(=O)=O

ChEBI Ontology
Outgoing	2-Hydroxyestrone sulfate (CHEBI:175686) is a steroid sulfate (CHEBI:16158)

IUPAC Name

(2-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) hydrogen sulate