LMST01031074
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.4968    8.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5635    8.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5635    7.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4968    6.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3632    6.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966    7.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966    8.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3632    8.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4301    8.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3632    9.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966   10.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2300    9.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2300    8.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0966    8.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0966    9.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1634   10.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2300   10.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4301    8.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1634   11.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2857   11.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9101   11.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4033   11.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1498   11.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8966   11.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1498   10.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8902   10.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1634   12.1528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4424   12.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966    9.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3430    7.8483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2300    7.9185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4301    7.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4301    6.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6566   11.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6158   10.4416    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  4  1  0  0  0  0
  4 33  1  0  0  0  0
 33  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 19 21  1  0  0  0  0
 21 35  1  0  0  0  0
 35 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  1  9  1  0  0  0  0
 33  9  1  0  0  0  0
  8  9  1  0  0  0  0
  7 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  1  0  0  0
  9 18  1  1  0  0  0
 19 20  1  6  0  0  0
 16 26  1  6  0  0  0
 19 27  1  1  0  0  0
  3 28  1  1  0  0  0
 22 29  1  6  0  0  0
  7 30  1  1  0  0  0
  8 31  1  6  0  0  0
 13 32  1  6  0  0  0
 33 34  1  6  0  0  0
 35 36  1  1  0  0  0
M  END
> <LM_ID>
LMST01031074

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
23S-methyl-5alpha-ergostan-3beta-ol

> <FORMULA>
C29H52O

> <MASS>
416.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KTGGCSVZUGUIFS-GNFRWFFXSA-N

> <INCHI>
InChI=1S/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19-,20+,21+,22-,23-,24-,25+,26-,27-,28-,29+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931366

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10212

> <CITATION>
-

$$$$