LMST01040183
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.6117    9.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7147    8.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7147    7.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4050    9.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086    8.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4050   10.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3020   10.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1984   10.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0950   10.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1984   11.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086    9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0950   11.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2519   11.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8124   11.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5298   11.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6757   11.0550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0950   12.4312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.0028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3020    8.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9916   10.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3020    7.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4050    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086    7.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2470   11.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9643   10.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8607   12.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9643   11.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086    6.5785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6117    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6117    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2470   12.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3504   13.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1984    9.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1984    8.1312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9916    9.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7237    8.4345    0.0000 O   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 29  1  0  0  0  0
 23 29  1  0  0  0  0
 22 21  1  0  0  0  0
 19 21  1  0  0  0  0
 19  4  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
 33  8  1  0  0  0  0
 33 35  1  0  0  0  0
 35 20  1  0  0  0  0
  9 20  1  0  0  0  0
  9 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 24  1  0  0  0  0
 24 27  1  0  0  0  0
  5  1  1  0  0  0  0
  5 23  1  0  0  0  0
  4  5  1  0  0  0  0
 19 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
  5 11  1  1  0  0  0
 12 13  1  0  0  0  0
  9 16  1  6  0  0  0
 12 17  1  1  0  0  0
  3 18  1  1  0  0  0
 23 22  1  0  0  0  0
 23 28  1  6  0  0  0
 24 31  1  6  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  6  0  0  0
 35 36  2  0  0  0  0
M  END
> <LM_ID>
LMST01040183

> <COMMON_NAME>
Theonellasterol C

> <SYSTEMATIC_NAME>
4-methylene-15-oxo-5alpha-poriferast-8(9)-en-3beta-ol

> <FORMULA>
C30H48O2

> <MASS>
440.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Stigmasterols and C24-ethyl derivatives [ST0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3beta-hydroxy-4-methylene-24S-ethylcholest-8(9)-en-15-one

> <INCHI_KEY>
SRPXWUUCXMMCIM-OURBDJLXSA-N

> <INCHI>
InChI=1S/C30H48O2/c1-8-21(18(2)3)10-9-19(4)25-17-27(32)28-22-11-12-23-20(5)26(31)14-16-29(23,6)24(22)13-15-30(25,28)7/h18-19,21,23,25-26,28,31H,5,8-17H2,1-4,6-7H3/t19-,21+,23+,25-,26+,28-,29+,30-/m1/s1

> <SMILES>
C1[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H](CC)C(C)C)CC(=O)[C@@]4([H])C=3CC[C@@]2([H])C(=C)[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931398

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
37505

> <CITATION>
21428459

$$$$