LMST01031308
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   11.8619   -7.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8574   -5.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1489   -6.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1561   -7.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5735   -6.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5706   -7.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9876   -7.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9905   -6.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2834   -5.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8596   -6.7824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5476   -5.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2746   -5.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9796   -4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2845   -4.3454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6701   -5.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3635   -4.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0540   -5.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7473   -4.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5697   -7.9676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0540   -5.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4519   -7.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4519   -8.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1561   -8.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8619   -8.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7522   -7.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0525   -7.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0525   -8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7522   -8.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4519   -6.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3528   -8.7968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9816   -5.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6509   -4.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1561   -7.9874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3670   -3.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8226   -5.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  6  0  0  0
 17 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
 21 29  1  1  0  0  0
 27 30  1  1  0  0  0
  9 31  1  6  0  0  0
 12 32  1  6  0  0  0
  4 33  1  6  0  0  0
 16 34  2  0     0  0
 11 35  1  0     0  0
M  END
> <LM_ID>
LMST01031308

> <COMMON_NAME>
Sinulasterol D

> <SYSTEMATIC_NAME>
24-methylene-cholest-5-en-3beta,18-diol

> <FORMULA>
C28H46O2

> <MASS>
414.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
ergost-5,24(28)-diene-3beta,18-diol

> <INCHI_KEY>
UDXYZGSSSVXURD-RWDDWGKHSA-N

> <INCHI>
InChI=1S/C28H46O2/c1-18(2)19(3)6-7-20(4)24-10-11-26-23-9-8-21-16-22(30)12-14-27(21,5)25(23)13-15-28(24,26)17-29/h8,18,20,22-26,29-30H,3,6-7,9-17H2,1-2,4-5H3/t20-,22+,23-,24-,25+,26+,27+,28+/m1/s1

> <SMILES>
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(CO)[C@@]([H])([C@@](C)([H])CCC(=C)C(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171116452

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
668409

> <CITATION>
36642107

$$$$