LMST04010301
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    8.3516    8.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4077    8.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4077    7.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3516    6.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2956    7.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2395    6.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1835    7.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1835    8.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2395    8.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2956    8.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2395    9.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1835   10.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1272    9.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1272    8.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0151    8.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0151    9.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0712   10.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1272   10.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2956    8.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0712   11.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1836   11.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8263   11.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5815   11.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3365   11.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2956    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8910    6.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1835   11.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0915   11.2264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1835    9.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2189    7.8029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1272    7.8738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6825   10.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0712   12.1562    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  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  9  1  0  0  0  0
  9 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 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
  5 25  1  6  0  0  0
  3 26  1  6  0  0  0
  7 27  1  6  0  0  0
 12 28  1  6  0  0  0
 24 29  1  0  0  0  0
  8 30  1  1  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
M  END
> <LM_ID>
LMST04010301

> <COMMON_NAME>
Petromyzonol

> <SYSTEMATIC_NAME>
5alpha-Cholane-3alpha,7alpha,12alpha,24-tetrol

> <FORMULA>
C24H42O4

> <MASS>
394.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BMSROUVLRAQRBY-JLIFGLSWSA-N

> <INCHI>
InChI=1S/C24H42O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-22,25-28H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1

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

> <KEGG_ID>
C16258

> <HMDB_ID>
-

> <CHEBI_ID>
50108

> <ABBREVIATION>
ST 24:0;O4

> <CAYMAN_ID>
98250

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284054

> <LIPIDBANK_ID>
BBA0301

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7757

> <CITATION>
5810077

$$$$