LMST02030163
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.7655    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7655    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    6.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0509    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7655    6.4850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7655    7.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9075    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2646    6.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4799    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4799    7.7225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2646    7.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5195    8.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9675    9.3752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3265    8.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  0  0  0  0
 12  9  1  0  0  0  0
 12 20  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 14  1  0  0  0  0
 14  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9 26  1  0  0  0  0
 26  8  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  6  0  0  0
 20 11  1  6  0  0  0
 12 13  1  1  0  0  0
 14 15  2  0  0  0  0
  7 16  1  1  0  0  0
 21 17  1  1  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
> <LM_ID>
LMST02030163

> <COMMON_NAME>
16,17-didehydroprogesterone

> <SYSTEMATIC_NAME>
pregna-4,16-diene-3,20-dione

> <FORMULA>
C21H28O2

> <MASS>
312.21

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
16,17-Didehydroprogesterone; 16-Dehydroprogesterone; 3,20-dioxopregna-4,16-diene; Delta(4,16)-pregnadiene-3,20-dione

> <INCHI_KEY>
VRRHHTISESGZFN-RKFFNLMFSA-N

> <INCHI>
InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1

> <SMILES>
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C(=CC[C@@]4([H])[C@]13[H])C(=O)C)C)CCC(=O)C=2

> <KEGG_ID>
C03207

> <HMDB_ID>
HMDB0000995

> <CHEBI_ID>
18204

> <ABBREVIATION>
ST 21:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101964

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$