LMST01010284
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.8601    6.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0989    6.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0989    5.4396    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8601    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6213    5.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3825    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1438    5.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1438    6.3185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3825    6.7581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6213    6.3185    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3825    7.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1438    8.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9051    7.6371    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9051    6.7581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4277    6.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4277    7.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6665    8.0765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9051    8.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6213    6.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6665    8.7798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9505    8.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1594    8.3612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6665    9.5295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1438    7.0657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    6.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9051    6.0760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4933    9.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8843    8.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8843    8.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2753    9.1313    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8359    9.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1356   10.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7148    9.8925    0.0000 O   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  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 31  1  0  0  0  0
 31 29  1  0  0  0  0
 29 28  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 22  1  6  0  0  0
 20 23  1  1  0  0  0
  3 24  1  1  0  0  0
  8 25  1  1  0  0  0
  9 26  1  6  0  0  0
 14 27  1  6  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
> <LM_ID>
LMST01010284

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(22,23-dinor)-24-vinyl-cholest-5-en-3beta,24-diol

> <FORMULA>
C27H44O2

> <MASS>
400.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VJZMDHUFPFDPDV-IEQUMJIWSA-N

> <INCHI>
InChI=1S/C27H44O2/c1-7-27(29,17(2)3)18(4)22-10-11-23-21-9-8-19-16-20(28)12-14-25(19,5)24(21)13-15-26(22,23)6/h7-8,17-18,20-24,28-29H,1,9-16H2,2-6H3/t18-,20-,21-,22+,23-,24-,25-,26+,27?/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
172972

> <ABBREVIATION>
ST 27:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931316

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
62298

> <CITATION>
-

$$$$