LMST01010355
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.9536    7.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540    7.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6532    6.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3528    6.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0523    6.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    8.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833    8.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1817    7.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1817    8.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7826   10.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1817   10.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8813    9.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5809   10.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2805    8.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2805    9.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9801   10.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4821    8.8827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4821    9.6905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1817    9.2866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4821   10.4983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6532    7.2670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6532    8.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7826    8.4788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7826    9.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7826    7.6710    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0830    7.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833    7.6710    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7826    6.8631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3833    6.8631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540    6.4592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9536    6.0553    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    6.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9536    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 21  1  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31  3  1  0  0  0  0
 27 21  1  0  0  0  0
 21  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
 26  5  2  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27  7  1  0  0  0  0
  6  7  1  0  0  0  0
 23  6  1  0  0  0  0
 25 23  1  0  0  0  0
 23 17  1  0  0  0  0
 17  9  1  0  0  0  0
  8  9  1  0  0  0  0
 25  8  1  0  0  0  0
 17 18  1  0  0  0  0
 18 10  1  0  0  0  0
 18 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  6  0  0  0
 18 20  1  1  0  0  0
 21 22  1  1  0  0  0
 23 24  1  1  0  0  0
 25 28  1  6  0  0  0
 27 29  1  6  0  0  0
 30 32  1  1  0  0  0
 31 33  1  6  0  0  0
M  END
> <LM_ID>
LMST01010355

> <COMMON_NAME>
4alpha-OH-7-DHC

> <SYSTEMATIC_NAME>
cholesta-5,7-dien-3beta,4alpha-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>
ARJBYZCJCNTGQM-XQCWDQNDSA-N

> <INCHI>
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h9-10,17-18,20-22,24-25,28-29H,6-8,11-16H2,1-5H3/t18-,20-,21+,22+,24+,25+,26-,27-/m1/s1

> <SMILES>
C1[C@@]2(C)C(=CC=C3[C@]2([H])CC[C@]2(C)[C@@]([H])([C@@]([H])(CCCC(C)C)C)CC[C@@]32[H])[C@H](O)[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
172985

> <ABBREVIATION>
ST 27:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56940690

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
21817059

$$$$