LMST01031094
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    9.0897    6.9776    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0851    8.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3795    7.3858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8058    8.2170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8027    7.3932    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2288    7.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2316    8.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5201    8.6288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0873    7.7853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7796    9.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5113    9.4297    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2207    9.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5212   10.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9155    9.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3082    9.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0058    9.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8018    6.5926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3082    8.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6709    6.9776    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3795    5.7503    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0897    6.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2627    6.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667    5.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2228    8.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8836    9.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3795    6.5728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6133    9.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6133   10.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    8.2088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6640    8.6177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667    7.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667    8.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3835    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6709    7.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2627    6.9776    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6709    6.1585    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6709    5.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.3865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  4  2  1  0  0  0  0
  2 29  1  0  0  0  0
 29  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  5  6  1  0  0  0  0
  1  9  1  1  0  0  0
  4 10  1  1  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 27  1  0  0  0  0
 27 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5 17  1  6  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
 19 36  1  0  0  0  0
 36 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 19 31  1  0  0  0  0
 31 35  1  0  0  0  0
 35 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 36  1  0  0  0  0
 19 34  1  1  0  0  0
  8 24  1  6  0  0  0
 11 25  1  6  0  0  0
  3 26  1  6  0  0  0
 27 28  2  0  0  0  0
 29 30  1  6  0  0  0
 31 32  2  0  0  0  0
 20 33  1  1  0  0  0
 35 38  1  1  0  0  0
 36 37  1  6  0  0  0
M  END
> <LM_ID>
LMST01031094

> <COMMON_NAME>
Stoloniferone G

> <SYSTEMATIC_NAME>
2beta,5alpha,6beta,11alpha-tetrahydroxy-24-methylene-cholest-3-en-1-one

> <FORMULA>
C28H44O5

> <MASS>
460.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XLUAFUWMFZEETH-QFEHSGLGSA-N

> <INCHI>
InChI=1S/C28H44O5/c1-15(2)16(3)7-8-17(4)19-9-10-20-18-13-23(31)28(33)12-11-21(29)25(32)27(28,6)24(18)22(30)14-26(19,20)5/h11-12,15,17-24,29-31,33H,3,7-10,13-14H2,1-2,4-6H3/t17-,18+,19-,20+,21-,22-,23-,24-,26-,27+,28+/m1/s1

> <SMILES>
[C@]12(C[C@@H](O)[C@@]3(O)C=C[C@@H](O)C(=O)[C@]3(C)[C@@]1([H])[C@H](O)C[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(=C)C(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168465

> <ABBREVIATION>
ST 28:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11733238

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
153213

> <CITATION>
12444673

$$$$