LMST03020230
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   10.3391    7.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2073    8.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2073    9.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3391    9.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3391   10.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2073   11.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753   10.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753    9.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8116    9.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8116   10.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9435   11.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753   11.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753    9.1078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7048   11.8124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9435   12.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8116   12.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6796   12.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5478   12.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4159   12.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2839   12.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4159   11.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9435   13.3775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9753   12.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3367    7.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3367    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3391    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3391    8.6389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4687    8.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6006    7.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6006    6.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4687    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.3652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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 11  1  0  0  0  0
  3  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  1  0  0  0
  8 13  1  6  0  0  0
 11 14  1  6  0  0  0
 11 15  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 19 21  1  0  0  0  0
 15 22  1  1  0  0  0
 15 23  1  6  0  0  0
  1 24  1  0  0  0  0
 24 25  2  0  0  0  0
  1 26  1  0  0  0  0
 26 25  1  0  0  0  0
  1 27  1  1  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 25  1  0  0  0  0
 29 32  1  6  0  0  0
M  END
> <LM_ID>
LMST03020230

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(7E)-(3S,6S)-6,19-cyclo-9,10-seco-5(10),7-cholestadien-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>
XDJIBTPXDQQNLP-ACRGJXSGSA-N

> <INCHI>
InChI=1S/C27H44O/c1-18(2)7-5-8-19(3)25-12-13-26-21(9-6-14-27(25,26)4)16-22-15-20-10-11-23(28)17-24(20)22/h16,18-19,22-23,25-26,28H,5-15,17H2,1-4H3/b21-16+/t19-,22+,23+,25-,26+,27-/m1/s1

> <SMILES>
[C@@]1([H])(CC2CC[C@H](O)CC1=2)/C=C1/[C@]2([H])CC[C@@]([C@@](C)([H])CCCC(C)C)([H])[C@@]2(C)CCC/1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173065

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547429

> <LIPIDBANK_ID>
VVD0257

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$