LMST01031014
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.9968    7.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2742    6.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2742    5.8102    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9968    5.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7012    5.8102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4147    5.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1373    5.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1373    6.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4147    7.0360    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7012    6.6426    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4147    7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1373    8.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8416    7.8500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8416    7.0360    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6283    6.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0948    7.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6283    8.0970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8416    8.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7012    7.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6283    8.9477    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8691    9.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3509    9.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0552    8.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7687    9.4051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4822    9.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4822    8.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1866    9.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7504   10.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8416    6.2127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4147    6.2127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417    8.5086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6920    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
  8 14  1  0  0  0  0
 15 14  1  0  0  0  0
 14 29  1  6  0  0  0
 11  9  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 30  1  6  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 31  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
 22 20  1  0  0  0  0
 20 21  1  6  0  0  0
  2  1  1  0  0  0  0
 22 23  2  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
 24 28  1  6  0  0  0
  3  2  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
  3 32  1  1  0  0  0
  5 33  1  6  0  0  0
M  END
> <LM_ID>
LMST01031014

> <COMMON_NAME>
5alpha-ergosta-7,22-diene-3beta,5-diol

> <SYSTEMATIC_NAME>
5alpha-ergosta-7,22-diene-3beta,5-diol

> <FORMULA>
C28H46O2

> <MASS>
414.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5alpha-Ergosta-7,22-diene-3beta,5-diol; 5alpha-ergosta-7,22-diene-3beta,5-diol

> <INCHI_KEY>
KKCUYJKFHVZXJO-AWKCEKCTSA-N

> <INCHI>
InChI=1S/C28H46O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-12-16-28(30)17-21(29)11-15-27(28,6)25(22)13-14-26(23,24)5/h7-8,12,18-21,23-25,29-30H,9-11,13-17H2,1-6H3/b8-7+/t19-,20+,21-,23+,24-,25-,26+,27+,28+/m0/s1

> <SMILES>
C1C[C@H](O)C[C@]2(O)CC=C3[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@]13[H]

> <KEGG_ID>
C04416

> <HMDB_ID>
-

> <CHEBI_ID>
17938

> <ABBREVIATION>
ST 28:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000000462

> <PUBCHEM_COMPOUND_ID>
5280675

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$