LMST01050016
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.8967    6.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1142    6.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1142    5.4518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8967    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6790    5.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4616    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2441    5.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2441    6.3554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4616    6.8073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6790    6.3554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4616    7.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2441    8.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0265    7.7107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0265    6.8073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5915    6.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5915    7.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8090    8.1626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0265    8.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6790    6.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8090    8.8853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0732    9.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4350    9.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0611    8.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6869    9.2467    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.3159    8.4551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8090    9.6561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2441    7.1234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4444    6.0471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0265    6.1061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9009    9.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6869    9.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2938    8.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0887   10.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2992   10.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2938    8.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0763    8.4445    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 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 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 25  1  6  0  0  0
 20 26  1  1  0  0  0
  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
 24 36  1  0  0  0  0
 36 31  1  0  0  0  0
 32 24  1  0  0  0  0
 36 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <LM_ID>
LMST01050016

> <COMMON_NAME>
25-Methyl-24-isopropenyl-22E-dehydrocholesterol

> <SYSTEMATIC_NAME>
25-Methyl-24-isopropenyl-cholesta-5,22E-dien-3beta-ol

> <FORMULA>
C31H50O

> <MASS>
438.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
C24-propyl sterols and derivatives [ST0105]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XKEISTFYSMCXHM-OFRXCCBTSA-N

> <INCHI>
InChI=1S/C31H50O/c1-20(2)25(29(4,5)6)12-9-21(3)26-13-14-27-24-11-10-22-19-23(32)15-17-30(22,7)28(24)16-18-31(26,27)8/h9-10,12,21,23-28,32H,1,11,13-19H2,2-8H3/b12-9+/t21-,23+,24+,25?,26-,27+,28+,30+,31-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 31:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931411

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
281489

> <CITATION>
15013687

$$$$