LMST03020229
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    6.9750   10.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   11.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   12.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   13.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750   13.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8890   13.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8890   12.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7175   12.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7175   13.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8033   13.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8890   14.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8033   14.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9437   14.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5347   15.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2660   14.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974   15.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7287   14.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4602   15.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7287   13.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8890   11.4534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6050   14.3016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8033   15.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    9.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6923    8.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6923    7.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7001    7.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7081    7.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7081    8.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7001    9.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7001   10.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7001    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3982    8.8675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  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 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 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 18  1  0  0  0  0
 17 19  1  0  0  0  0
  2  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  1  0  0  0
 12 13  1  6  0  0  0
  7 20  1  6  0  0  0
 10 21  1  6  0  0  0
 12 22  1  1  0  0  0
  1 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  2  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  6  0  0  0
 23 24  1  6  0  0  0
 23 32  1  1  0  0  0
M  END
> <LM_ID>
LMST03020229

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(3S,6R)-9,10-seco-5(10),6,7-cholestatrien-3-ol

> <FORMULA>
C27H44O

> <MASS>
384.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YZGASHZUSKGPDO-MNHCFFFESA-N

> <INCHI>
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h13,19,21,24-26,28H,6-11,14-18H2,1-5H3/t12-,21+,24-,25+,26-,27+/m0/s1

> <SMILES>
[C@](=C([H])C1=C(C)CC[C@H](O)C1)=C1[C@]2([H])CC[C@@]([H])([C@@]2(C)CCC1)[C@]([H])(C)CCCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
172964

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283716

> <LIPIDBANK_ID>
VVD0256

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3630

> <CITATION>
-

$$$$