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CHEBI:136980 - 2-hydroxy-3-O-methyl estrone

ChEBI IDCHEBI:136980
ChEBI Name2-hydroxy-3-O-methyl estrone
Stars
ASCII Name2-hydroxy-3-O-methyl estrone
DefinitionA 2-hydroxy steroid that is 2-hydroxyestrone in which the hydroxy group at position 3 has been converted to the corresponding methyl ether.
Last Modified8 May 2017
Submitternhn
DownloadsMolfile
FormulaC19H24O3
Net Charge0
Average Mass300.398
Monoisotopic Mass300.17254
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3cc(O)c(OC)cc3CC[C@@]21[H]
InChIInChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
InChIKeyYBCPNMOFBUWYTP-QPWUGHHJSA-N
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-O-methyl estrone (CHEBI:136980) has functional parent 2-hydroxyestrone (CHEBI:1156)
2-hydroxy-3-O-methyl estrone (CHEBI:136980) is a 17-oxo steroid (CHEBI:19168)
2-hydroxy-3-O-methyl estrone (CHEBI:136980) is a 2-hydroxy steroid (CHEBI:36857)
2-hydroxy-3-O-methyl estrone (CHEBI:136980) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-hydroxy-3-methoxyestra-1,3,5(10)-trien-17-one
Synonym  Source
2OH-3MeOE1SUBMITTER
UniProt Name  Source
2-hydroxy-3-methoxy-estroneUniProt
Citations