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CHEBI:79541 - 3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one

ChEBI IDCHEBI:79541
ChEBI Name3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
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])c3cc([N+](=O)[O-])c(O)cc3CC[C@@]21[H]
InChIInChI=1S/C18H21NO4/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19(22)23)9-13(10)11/h8-9,11-12,14,20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1
InChIKeyCXYPVKBFRMXQDI-JPVZDGGYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one (CHEBI:79541) is a 3-hydroxy steroid (CHEBI:36834)
Synonym  Source
2-NitroestroneKEGG COMPOUND
Manual XrefsDatabases
C15018KEGG COMPOUND