LMST01010253
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    8.4646    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8798    8.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4675    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    8.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    9.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4314   11.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1386   10.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1386   10.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6386   11.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6386   11.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1386   12.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1386   12.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6386   13.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    6.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8798    9.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8798    9.8697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    7.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 29  1  0  0  0  0
 24 12  1  0  0  0  0
 12 29  1  0  0  0  0
 25  5  2  0  0  0  0
  6 26  2  0  0  0  0
 24  6  1  0  0  0  0
  8 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
 27 14  1  0  0  0  0
 27 10  1  0  0  0  0
 26  9  1  0  0  0  0
  9 10  1  0  0  0  0
 14 26  1  0  0  0  0
  3 11  1  1  0  0  0
 12 13  1  1  0  0  0
 14 15  1  1  0  0  0
 27 17  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 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
 21 23  1  0  0  0  0
 27 28  1  6  0  0  0
 29 25  1  0  0  0  0
  5  6  1  0  0  0  0
 29 30  1  6  0  0  0
 24 31  1  6     0  0
M  END
> <LM_ID>
LMST01010253

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
cholesta-6,8(14)-dien-3beta,5alpha-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>
JVKATXXFNVGWKA-BREPCKMYSA-N

> <INCHI>
InChI=1S/C27H44O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h12,16,18-20,22,24,28-29H,6-11,13-15,17H2,1-5H3/t19-,20+,22-,24+,25-,26-,27-/m1/s1

> <SMILES>
C1[C@@]2(C)[C@@](O)(C=CC3[C@]2([H])CC[C@@]2(C)C=3CC[C@]2([H])[C@@H](CCCC(C)C)C)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101497650

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
20121089

$$$$