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CHEBI:79864 - 4-Nitroestrone

ChEBI IDCHEBI:79864
ChEBI Name4-Nitroestrone
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC18H21NO4
Net Charge0
Average Mass315.369
Monoisotopic Mass315.14706
SMILES[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)c([N+](=O)[O-])c3CC[C@@]21[H]
InChIInChI=1S/C18H21NO4/c1-18-9-8-11-10-4-6-15(20)17(19(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
InChIKeyWNYWRAYXFFPPGN-QDTBLXIISA-N
ChEBI Ontology
Outgoing Relation(s)
4-Nitroestrone (CHEBI:79864) is a 3-hydroxy steroid (CHEBI:36834)
Synonym  Source
3-Hydroxy-4-nitroestra-1,3,5(10)-trien-17-oneKEGG COMPOUND
Manual XrefsDatabases
C15362KEGG COMPOUND