LMST01031019
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    9.0648    7.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0603    8.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3516    8.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3588    7.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7767    8.2527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7738    7.4337    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1913    7.4288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1943    8.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4869    8.6622    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7508    9.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4781    9.4584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1834    9.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4880   10.2616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8741    9.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5678    9.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2586    9.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9521    9.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7729    6.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2586    8.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6543    7.0206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6543    6.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3588    5.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0648    6.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9543    7.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2544    7.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2544    6.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9543    5.8083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6543    7.8288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    8.9714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542    9.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6543    5.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9543    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5706   10.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  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
  5 10  1  1  0  0  0
  9 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 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 18  1  6  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 20 28  1  1  0  0  0
 26 29  1  1  0  0  0
  9 30  1  6  0  0  0
 11 31  1  6  0  0  0
 21 32  1  6  0  0  0
 27 33  1  6  0  0  0
 15 34  2  0  0  0  0
M  END
> <LM_ID>
LMST01031019

> <COMMON_NAME>
4alpha-Methylfecosterol

> <SYSTEMATIC_NAME>
4alpha-methyl-24-methylene-5a-cholest-8-en-3beta-ol

> <FORMULA>
C29H48O

> <MASS>
412.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4alpha-methyl-5alpha-ergosta-8,24(28)-dien-3beta-ol

> <INCHI_KEY>
QLDNWJOJCDIMKK-XLFBYWHPSA-N

> <INCHI>
InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1

> <SMILES>
C12CC[C@@]3([H])[C@H](C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCC(=C)C(C)C)CC[C@@]21[H]

> <KEGG_ID>
C15776

> <HMDB_ID>
HMDB0006845

> <CHEBI_ID>
80094

> <ABBREVIATION>
ST 29:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
193524

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$