LMST04030123
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.9108    8.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    7.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    6.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9108    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8529    6.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7950    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7373    6.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7373    7.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7950    8.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8529    7.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7950    9.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7373   10.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6795    9.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6795    8.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5639    8.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5639    9.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6217   10.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6795   10.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8529    8.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6217   11.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7356   11.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3754   11.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1291   11.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8829   11.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6363   11.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3902   11.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6363   10.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2317   10.5207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6217   11.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4437    6.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    6.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7373    8.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7746    7.6216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6795    7.6925    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  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  1  6  0  0  0
  3 31  2  0  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
M  END
> <LM_ID>
LMST04030123

> <COMMON_NAME>
7alpha-Hydroxy-4-cholesten-3-one

> <SYSTEMATIC_NAME>
7alpha-Hydroxycholest-4-en-3-one

> <FORMULA>
C27H44O2

> <MASS>
400.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IOIZWEJGGCZDOL-RQDYSCIWSA-N

> <INCHI>
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,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@H](O)CC2=CC(=O)C1

> <KEGG_ID>
C05455

> <HMDB_ID>
HMDB0001993

> <CHEBI_ID>
17899

> <ABBREVIATION>
ST 27:2;O2

> <CAYMAN_ID>
25442

> <SWISSLIPIDS_ID>
SLM:000485649

> <PUBCHEM_COMPOUND_ID>
123743

> <LIPIDBANK_ID>
BBA0449

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
3181435

$$$$