Marvin  10020612392D          

 29 32  0  0  1  0            999 V2000
    2.8829   -3.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683   -4.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4539   -3.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394   -4.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0249   -3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394   -2.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4539   -3.1181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4539   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8829   -1.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8669   -2.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3820   -2.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683   -2.7056    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1683   -3.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5973   -2.7056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5973   -3.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8829   -3.1181    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8829   -2.2931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5973   -1.8806    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5973   -1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3820   -1.6256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0965   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0249   -3.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6896   -4.3556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683   -1.8806    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4538   -1.4681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3820   -0.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6675   -0.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0965   -0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8110   -0.8006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16  1  1  0  0  0  0
 16 12  1  0  0  0  0
 16 14  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4 22  1  0  0  0  0
 22  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7 12  1  0  0  0  0
 12 24  1  0  0  0  0
 24  9  1  0  0  0  0
  9 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 14  1  0  0  0  0
 20 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  6  0  0  0
 14 15  1  6  0  0  0
 16 17  1  1  0  0  0
 18 19  1  1  0  0  0
 20 21  1  6  0  0  0
 20 26  1  0  0  0  0
 26 28  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  1  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <ID>
CHEBI:16827

> <NAME>
corticosterone

> <DEFINITION>
A 21-hydroxy steroid that consists of pregn-4-ene substituted by hydroxy groups at positions 11 and 21 and oxo groups at positions 3 and 20. Corticosterone is a 21-carbon steroid hormone of the corticosteroid type produced in the cortex of the adrenal glands.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41361; CHEBI:3891; CHEBI:14022; CHEBI:19131; CHEBI:57911

> <SYNONYM>
Reichstein's substance H; Kendall's compound B; corticosterone; CORTICOSTERONE; Corticosterone; 17-deoxycortisol; 11beta,21-dihydroxyprogesterone; 11beta,21-Dihydroxy-4-pregnene-3,20-dione; (11beta)-11,21-dihydroxypregn-4-ene-3,20-dione

> <IUPAC_NAME>
11beta,21-dihydroxypregn-4-ene-3,20-dione

> <FORMULA>
C21H30O4

> <MASS>
346.46050

> <MONOISOTOPIC_MASS>
346.21441

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1

> <INCHIKEY>
OMFXVFTZEKFJBZ-HJTSIMOOSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2339601

> <CAS_REGISTRY_NUMBER>
50-22-6

> <CHEMIDPLUS>
50-22-6

> <KEGG_COMPOUND_ACCESSION>
C02140

> <LINCS_ACCESSION>
LSM-5814

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST02030186

> <METACYC_ACCESSION>
CORTICOSTERONE

> <NIST_CHEMISTRY_WEBBOOK>
50-22-6

> <PDBECHEM_ACCESSION>
C0R

> <WIKIPEDIA_ACCESSION>
Corticosterone

> <PUBMED_CITATION>
10438974; 11448093; 16817814; 24446162

$$$$