LMST02020084
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    9.7586    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2227    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2227    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3567    9.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3567    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0888    9.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    7.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6247    8.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    7.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 22  1  6  0  0  0
  2  1  1  0  0  0  0
 24  2  1  0  0  0  0
  2 23  1  1  0  0  0
 10  3  2  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  2  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  3  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  1  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 16  9  2  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  1  0  0  0
 13 19  1  0  0  0  0
 24 13  1  0  0  0  0
 24 20  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 21 17  2  0  0  0  0
 20 18  1  0  0  0  0
 24 25  1  6  0  0  0
M  END
> <LM_ID>
LMST02020084

> <COMMON_NAME>
testolactone

> <SYSTEMATIC_NAME>
3-oxo-13,17-secoandrosta-1,4-dieno-17,13alpha-lactone

> <FORMULA>
C19H24O3

> <MASS>
300.17

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C19 steroids (androgens) and derivatives [ST0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione; 1,2-didehydrotestololactone; 1-dehydrotestololactone; 13-hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid delta-lactone; D-homo-17a-oxaandrosta-1,4-diene-3,17-dione; Delta(1)-testololactone; Teslac; Testolactone

> <INCHI_KEY>
BPEWUONYVDABNZ-DZBHQSCQSA-N

> <INCHI>
InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1

> <SMILES>
[C@]12([C@@]3(C)C=CC(=O)C=C3CC[C@@]1([H])[C@]1([H])CCC(=O)O[C@@]1(C)CC2)[H]

> <KEGG_ID>
C02197

> <HMDB_ID>
HMDB0015031

> <CHEBI_ID>
9460

> <ABBREVIATION>
ST 19:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13769

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
64609; 32630

> <CITATION>
-

$$$$