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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > 3-hydroxy steroid > 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > 3-hydroxy steroid > 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > 3-hydroxy steroid > 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one

Preferred term

3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H21NO4

inchi

  • InChI=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

inchikey

  • CXYPVKBFRMXQDI-JPVZDGGYSA-N

mass

  • 315.36360

monoisotopicmass

  • 315.14706

smiles

  • C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)[N+]([O-])=O)[C@@H]1CCC2=O

subset

  • 2_STAR

synonym RELATED

  • 2-Nitroestrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79541

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