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CHEBI:175686 - 2-Hydroxyestrone sulfate

ChEBI IDCHEBI:175686
ChEBI Name2-Hydroxyestrone sulfate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O6S
Net Charge0
Average Mass366.435
Monoisotopic Mass366.11371
SMILESCC12CCC3c4cc(O)c(OS(=O)(=O)O)cc4CCC3C1CCC2=O
InChIInChI=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)
InChIKeyDTMWSKSAMRZGQH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
11467601ChemSpider
HMDB0012622HMDB