Marvin  05171113232D          

 32 35  0  0  1  0            999 V2000
   14.8777   -5.0146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8777   -5.8396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4340   -5.8396    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1558   -6.2315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7327   -6.2521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1558   -4.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4340   -5.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1558   -7.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7327   -7.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4340   -7.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8571   -4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7327   -5.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0108   -5.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0108   -7.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3096   -6.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3096   -7.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1352   -5.4065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8571   -6.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4340   -6.6852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5671   -7.4896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6623   -4.7597    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1472   -5.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6624   -6.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9173   -3.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3653   -3.3620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7242   -3.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512   -7.0795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1381   -7.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4223   -7.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4190   -6.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7033   -7.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4602   -4.9798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1 11  1  1  0  0  0
  2 18  1  6  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  4  3  1  0  0  0  0
  7  3  1  0  0  0  0
  3 19  1  6  0  0  0
  8  4  1  0  0  0  0
  4 17  1  1  0  0  0
  9  5  1  0  0  0  0
  5 12  1  1  0  0  0
 13  5  1  0  0  0  0
  7  6  1  0  0  0  0
 10  8  1  0  0  0  0
 14  9  2  0  0  0  0
 10  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21  1  1  0  0  0  0
  2  1  1  0  0  0  0
 22 21  1  0  0  0  0
 23  2  1  0  0  0  0
 23 22  1  0  0  0  0
 21 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 20 27  1  4  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
> <ID>
CHEBI:62110

> <NAME>
17-hydroxyprogesterone 3-O-(carboxymethyl)oxime

> <DEFINITION>
An oxime O-ether consisting of progesterone having an O-(carboxymethyl)oxime group at the 3-position and a hydroxy group at the 17α-position.

> <STAR>
3

> <SYNONYM>
progesterone-17-ol-3-CMO; progesterone-17-ol-3-carboxymethyloxime; P4-3-CMO-17-ol

> <IUPAC_NAME>
{[(17-hydroxy-20-oxopregn-4-en-3-ylidene)amino]oxy}acetic acid

> <FORMULA>
C23H33NO5

> <MASS>
403.51180

> <MONOISOTOPIC_MASS>
403.23587

> <CHARGE>
0

> <SMILES>
[H][C@@]12CCC3=CC(CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)=O)=NOCC(O)=O

> <INCHI>
InChI=1S/C23H33NO5/c1-14(25)23(28)11-8-19-17-5-4-15-12-16(24-29-13-20(26)27)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,28H,4-11,13H2,1-3H3,(H,26,27)/t17-,18+,19+,21+,22+,23+/m1/s1

> <INCHIKEY>
NMRMMCZURGCYED-JZTHCNPZSA-N

> <REAXYS_REGISTRY_NUMBER>
2188864

> <PUBMED_CITATION>
18791859

$$$$