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CHEBI:1191 - 2-methoxyestrone 3-sulfate

ChEBI IDCHEBI:1191
ChEBI Name2-methoxyestrone 3-sulfate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H24O6S
Net Charge0
Average Mass380.462
Monoisotopic Mass380.12936
SMILES[H][C@@]12CCc3cc(OS(=O)(=O)O)c(OC)cc3[C@]1([H])CC[C@]1(C)C(=O)CC[C@]21[H]
InChIInChI=1S/C19H24O6S/c1-19-8-7-12-13(15(19)5-6-18(19)20)4-3-11-9-17(25-26(21,22)23)16(24-2)10-14(11)12/h9-10,12-13,15H,3-8H2,1-2H3,(H,21,22,23)/t12-,13-,15-,19+/m1/s1
InChIKeySCVLBAOQZXPGMZ-XXZHDZSNSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methoxyestrone 3-sulfate (CHEBI:1191) has functional parent estrone (CHEBI:17263)
2-methoxyestrone 3-sulfate (CHEBI:1191) is a steroid sulfate (CHEBI:16158)
Synonym  Source
2-Methoxyestrone 3-sulfateKEGG COMPOUND
Manual XrefsDatabases
C08358KEGG COMPOUND