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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > steroid acid anion > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > steroid acid anion > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > steroid acid anion > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > steroid acid anion > 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-)

Preferred term

9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oate(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C22H29O4

inchi

  • InChI=1S/C22H30O4/c1-13(19(24)25)16-6-7-17-18-5-4-14-12-15(23)8-9-21(14,3)22(18,26)11-10-20(16,17)2/h8-9,12-13,16-18,26H,4-7,10-11H2,1-3H3,(H,24,25)/p-1/t13-,16+,17-,18-,20+,21-,22+/m0/s1

inchikey

  • HBUZRBRDIKABSC-MPITXTFFSA-M

is_conjugate_base_of

mass

  • 357.46380

monoisotopicmass

  • 357.20713

smiles

  • C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(O)CC[C@]12C)C([O-])=O

subset

  • 3_STAR

synonym RELATED

  • 9alpha-hydroxy-3-oxochola-1,4-dien-22-oate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:85553

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