LMST01010120
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5955    8.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5955    7.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620    6.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3284    7.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3284    8.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4620    8.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1947    6.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0611    7.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0611    8.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1947    8.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9275    8.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9275    9.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0611   10.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1947    9.8622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8791    8.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4671    9.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8791   10.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9275   10.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8791   11.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7455   11.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6118   11.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4782   11.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3446   11.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2111   11.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3446   10.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0161   11.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9275    7.8612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0611   11.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3284    9.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3284    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8791   12.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1947   11.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5614   12.2252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5950   10.5051    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
 14 10  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 12 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 19 26  1  6  0  0  0
 11 27  1  6  0  0  0
 13 28  1  0  0  0  0
  5 29  1  1  0  0  0
  4 30  1  6  0  0  0
  7 30  1  6  0  0  0
  2 31  1  1  0  0  0
 19 32  1  1  0  0  0
 28 33  2  0  0  0  0
 28 34  1  0  0  0  0
 17 35  1  6     0  0
M  END
> <LM_ID>
LMST01010120

> <COMMON_NAME>
3beta-Hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al

> <SYSTEMATIC_NAME>
3beta-hydroxy-5alpha,6alpha-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al

> <FORMULA>
C27H42O4

> <MASS>
430.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HWTUUAJZGNFIHU-AUZHTAODSA-N

> <INCHI>
InChI=1S/C27H42O4/c1-17(2)7-6-8-18(3)21-9-10-22(25(21,4)13-14-28)20-15-23-27(31-23)16-19(29)11-12-26(27,5)24(20)30/h14-15,17-19,21-23,29H,6-13,16H2,1-5H3/t18-,19+,21-,22+,23+,25-,26-,27+/m1/s1

> <SMILES>
C1C[C@]2(C)C(=O)C([C@]3([H])CC[C@]([H])([C@]([H])(C)CCCC(C)C)[C@@]3(C)CC([H])=O)=C[C@@H]3O[C@]23C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10550597

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1336824

> <CITATION>
9051917

$$$$