LMST02030258
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    4.3716   -3.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177   -4.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177   -5.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3716   -5.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5257   -5.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5257   -4.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638   -3.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9098   -4.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9098   -5.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638   -5.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637   -2.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9097   -2.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7558   -2.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7558   -3.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6018   -2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4479   -2.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4480   -3.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6797   -5.5929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177   -3.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8409   -1.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9097   -1.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9098   -3.1504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638   -4.6159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0087   -4.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4479   -1.6849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4322   -1.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1806   -0.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5142   -0.8773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
  5 18  2  0     0  0
  2 19  1  1     0  0
 13 20  1  1     0  0
 12 21  2  0     0  0
  8 22  1  1     0  0
  7 23  1  6     0  0
 14 24  1  6     0  0
 15 25  1  6     0  0
 15 26  1  0     0  0
 26 27  2  0     0  0
 26 28  1  0     0  0
M  END
> <LM_ID>
LMST02030258

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(17S)-4,6-androstadiene-3,12-dione-17-carboxylic acid

> <FORMULA>
C20H24O4

> <MASS>
328.17

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AFILPLGUKWMJRY-GHPQEMMVSA-N

> <INCHI>
InChI=1S/C20H24O4/c1-19-8-7-12(21)9-11(19)3-4-13-14-5-6-15(18(23)24)20(14,2)17(22)10-16(13)19/h3-4,9,13-16H,5-8,10H2,1-2H3,(H,23,24)/t13-,14-,15+,16-,19-,20-/m0/s1

> <SMILES>
C1CC(=O)C=C2C=C[C@@]3([H])[C@]4([H])CC[C@@](C(O)=O)([H])[C@@]4(C)C(=O)C[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 20:5;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118650

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
62092

> <CITATION>
-

$$$$