LMST01010641
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.3094   -7.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3767   -8.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3767   -9.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3094   -9.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2423   -9.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -9.9476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079   -9.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1079   -8.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1750   -7.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2423   -8.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9062   -6.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7197   -4.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4658   -5.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2121   -4.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1079   -7.4163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1547   -8.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0406   -8.6292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9597   -9.9007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0782   -5.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9442   -4.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0781   -6.3852    0.0000 C   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
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  9 10  1  0  0  0  0
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 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
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  3 27  1  1  0  0  0
  8 28  1  1  0  0  0
  9 29  1  6  0  0  0
 14 30  1  6  0  0  0
  7 31  2  0     0  0
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 32 33  1  0     0  0
 32 34  1  0     0  0
M  END
> <LM_ID>
LMST01010641

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta-hydroxy-cholesta-5,22E-dien-7- one

> <FORMULA>
C27H42O2

> <MASS>
398.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OEUNIWGBYMEXOA-GXZPRZHNSA-N

> <INCHI>
InChI=1S/C27H42O2/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/h6,8,16-18,20-23,25,28H,7,9-15H2,1-5H3/b8-6+/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45047079

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
395614

> <CITATION>
-

$$$$