LMST01060012
  LIPID_MAPS_STRUCTURE_DATABASE

 37 42  0     0  0            999 V2000
    9.4605    8.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4551   10.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6065    8.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3219    9.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3181    8.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0333    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0364    9.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1809   10.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4577    9.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2904   10.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1704   10.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0233   11.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1822   11.9496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8591   10.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5339   10.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3728   11.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3170    7.5661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5339    9.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    8.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6065    6.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4605    7.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9073    6.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0260   10.3891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4154   11.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6065    7.5423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6982   11.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6982   12.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5976    9.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7460   10.0016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9073    8.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9073    9.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    7.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9009   12.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    9.0126    0.0000 C   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 30  1  0  0  0  0
 30  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 28  1  0  0  0  0
 28 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 34  1  0  0  0  0
 34 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 19 32  1  0  0  0  0
 32 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 34  1  0  0  0  0
 19 37  1  1  0  0  0
  8 25  1  6  0  0  0
 11 26  1  6  0  0  0
  3 27  1  6  0  0  0
 28 29  1  6  0  0  0
 30 31  1  6  0  0  0
 32 33  2  0  0  0  0
 34 35  1  1  0  0  0
 20 35  1  1  0  0  0
 12 36  1  1  0  0  0
 14 36  1  1  0  0  0
M  END
> <LM_ID>
LMST01060012

> <COMMON_NAME>
Stoloniferone D

> <SYSTEMATIC_NAME>
11alpha-hydroxy-5beta,6beta-epoxy-23-demethylgorgost-2-en-1-one

> <FORMULA>
C29H44O3

> <MASS>
440.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Gorgosterols and derivatives [ST0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DIFOUKUUJYKBGM-SJMFGSDUSA-N

> <INCHI>
InChI=1S/C29H44O3/c1-15(2)16(3)18-12-19(18)17(4)21-9-10-22-20-13-25-29(32-25)11-7-8-24(31)28(29,6)26(20)23(30)14-27(21,22)5/h7-8,15-23,25-26,30H,9-14H2,1-6H3/t16-,17-,18-,19-,20+,21-,22+,23-,25-,26-,27-,28-,29-/m1/s1

> <SMILES>
[C@]12(C[C@H]3O[C@@]43CC=CC(=O)[C@]4(C)[C@@]1([H])[C@H](O)C[C@]1(C)[C@@]([H])([C@@](C)([H])[C@H]3C[C@@H]3[C@H](C)C(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21674178

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
153213

> <CITATION>
-

$$$$