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CHEBI:79512 - 4-Nitroestra-1,3,5(10)-triene-3,17beta-diol

ChEBI IDCHEBI:79512
ChEBI Name4-Nitroestra-1,3,5(10)-triene-3,17beta-diol
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC18H23NO4
Net Charge0
Average Mass317.385
Monoisotopic Mass317.16271
SMILES[H][C@@]12CCc3c(ccc(O)c3[N+](=O)[O-])[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C18H23NO4/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/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1
InChIKeyOMZSNIQSXZEIKB-ZHIYBZGJSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Nitroestra-1,3,5(10)-triene-3,17beta-diol (CHEBI:79512) is a 3-hydroxy steroid (CHEBI:36834)
Synonym  Source
4-NitroestradiolKEGG COMPOUND
Manual XrefsDatabases
C14988KEGG COMPOUND