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M  END
> <ID>
CHEBI:85911

> <NAME>
3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid

> <DEFINITION>
A steroid acid that is 23,24-bisnor-chol-1,4-dien-22-oic acid bearing an additional oxo substituent at position 3.

> <STAR>
3

> <SYNONYM>
3-oxo-23,24-dinorchola-1,4-dien-22-oic acid; 3-keto-23,24-dinorchola-1,4-dien-22-oic acid; 3-keto-23,24-bisnorchola-1,4-dien-22-oic acid; 20-Carboxy-1,4-pregnadien-3-one

> <FORMULA>
C22H30O3

> <MASS>
342.47180

> <MONOISOTOPIC_MASS>
342.21949

> <CHARGE>
0

> <SMILES>
C[C@@H]([C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(O)=O

> <INCHI>
InChI=1S/C22H30O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h8,10,12-13,16-19H,4-7,9,11H2,1-3H3,(H,24,25)/t13-,16-,17+,18-,19-,21-,22+/m0/s1

> <INCHIKEY>
OZESBBVMFLIODA-WAMTXRNCSA-N

> <CAS_REGISTRY_NUMBER>
20248-18-4

> <REAXYS_REGISTRY_NUMBER>
4526990

> <CHEMIDPLUS>
20248-18-4

> <METACYC_ACCESSION>
CPD-13738

> <PUBMED_CITATION>
21987574

$$$$