LMST01010058
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    6.9970    8.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9334    6.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8697    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8062    6.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8062    7.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8697    8.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9334    7.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8697    9.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8062   10.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7424    9.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7424    8.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6153    8.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6153    9.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6789   10.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7424   10.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9334    8.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6789   11.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7984   11.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4280   11.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1771   11.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9262   11.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6752   11.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4244   11.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6752   10.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2854   10.4952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6789   11.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5081    6.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8062    8.9017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8492    7.6138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7424    7.6843    0.0000 H   0  0  0  0  0  0  0  0  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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  7 30  2  0  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
M  END
> <LM_ID>
LMST01010058

> <COMMON_NAME>
3,5-cholestadien-7-one

> <SYSTEMATIC_NAME>
cholesta-3,5-dien-7-one

> <FORMULA>
C27H42O

> <MASS>
382.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7-keto-3,5-cholestadiene

> <INCHI_KEY>
TTXJJFWWNDJDNR-CZRUWHASSA-N

> <INCHI>
InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C=CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O

> <CAYMAN_ID>
34320

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283627

> <LIPIDBANK_ID>
SST9043

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
-

$$$$