LMST01040180
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.1164    7.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3708    7.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3708    6.2909    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6069    7.5817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8619    7.1515    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6069    8.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3526    8.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0976    8.4423    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0976    7.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8429    8.8727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0976    9.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8619    7.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8429    9.5612    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1422    9.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4393    9.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0355    9.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3257    9.1514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8429   10.2954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    6.9283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3526    7.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5882    8.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5882    7.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3526    6.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    5.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8619    6.2909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6317    9.9054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2279    8.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9730    9.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2279    9.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8619    5.4304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1164    5.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1164    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6317   10.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8864   11.1961    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 32  1  0  0  0  0
 26 32  1  0  0  0  0
 25 24  1  0  0  0  0
 21 24  1  0  0  0  0
 21  4  1  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
  9  8  1  0  0  0  0
  9 23  1  0  0  0  0
 23 22  1  0  0  0  0
 10 22  1  0  0  0  0
 10 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 27 30  1  0  0  0  0
  5  1  1  0  0  0  0
  5 26  1  0  0  0  0
  4  5  1  0  0  0  0
 21  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  1  0  0  0
  5 12  1  1  0  0  0
 13 14  1  0  0  0  0
 10 17  1  6  0  0  0
 13 18  1  1  0  0  0
  4 19  1  6  0  0  0
  3 20  1  1  0  0  0
 26 25  1  0  0  0  0
 26 31  1  6  0  0  0
 27 34  1  6  0  0  0
 30 28  1  0  0  0  0
 30 29  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <LM_ID>
LMST01040180

> <COMMON_NAME>
Theonellasterol

> <SYSTEMATIC_NAME>
4-methylene-5alpha-poriferast-8(14)-en-3beta-ol

> <FORMULA>
C30H50O

> <MASS>
426.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CVZFQTIJNREPCP-HFLKTIQXSA-N

> <INCHI>
InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-20,22,24-25,27-28,31H,5,8-18H2,1-4,6-7H3/t20-,22+,24-,25+,27+,28+,29-,30+/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H](CC)C(C)C)CCC4=C3CC[C@@]2([H])C(=C)[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931395

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
37505

> <CITATION>
-

$$$$