LMST01110010
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0  0  0  0  0  0  0  0999 V2000
    6.9654    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2137    6.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2137    5.8680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9654    5.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    5.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2210    5.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2210    6.7361    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4690    7.1703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7172    6.7361    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4690    8.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2210    8.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9726    8.0384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9726    7.1703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4763    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4763    8.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7245    8.4725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9726    8.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172    7.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7245    9.1670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0175    9.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3259    9.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9274    9.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2210    7.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9726    6.4966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2113    8.7535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7245    9.9074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    6.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.4874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5288   10.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5288    9.5142    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0323    9.5142    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7840    9.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2806    9.0802    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0323    8.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172    5.8680    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7172    5.0000    0.0000 H   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 35  1  0  0  0  0
 35  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 22  1  0  0  0  0
 22 30  1  0  0  0  0
  1  9  1  0  0  0  0
 35  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
  7 23  1  1  0  0  0
 13 24  1  6  0  0  0
 16 25  1  6  0  0  0
 19 26  1  1  0  0  0
  8 27  1  6  0  0  0
  3 28  1  1  0  0  0
 30 29  1  1  0  0  0
 30 33  1  0  0  0  0
 33 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  1  0  0  0
 31 34  1  1  0  0  0
 35 36  1  6  0  0  0
M  END
> <LM_ID>
LMST01110010

> <COMMON_NAME>
Petrostanol

> <SYSTEMATIC_NAME>
(25R)-24R,26R-dimethyl-26,27-cyclo-5alpha-cholestan-3beta-ol

> <FORMULA>
C29H50O

> <MASS>
414.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Calysterols and cyclopropyl sidechain derivatives [ST0111]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DSCWSZBNGFQSCJ-RNFVLPFXSA-N

> <INCHI>
InChI=1S/C29H50O/c1-18(24-16-20(24)3)6-7-19(2)25-10-11-26-23-9-8-21-17-22(30)12-14-28(21,4)27(23)13-15-29(25,26)5/h18-27,30H,6-17H2,1-5H3/t18-,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H]([C@@H]5C[C@H]5C)C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173048

> <ABBREVIATION>
ST 29:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931487

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$