LMST04030022
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.9103    7.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1199    6.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1199    5.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9103    5.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    5.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    5.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    5.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    6.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    7.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    6.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    8.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    8.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0723    8.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0723    7.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6533    7.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6533    8.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8629    8.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0723    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    7.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8629    9.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1195    9.5216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4952    9.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1276    9.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7600    9.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3923    9.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0248    9.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3923    8.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3748    8.8878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8629   10.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    5.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7586   10.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    7.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    6.4554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0723    6.5148    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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  5 30  1  1  0  0  0
  3 31  1  6  0  0  0
  7 32  1  6  0  0  0
 24 33  1  0  0  0  0
  8 34  1  1  0  0  0
  9 35  1  6  0  0  0
 14 36  1  6  0  0  0
M  END
> <LM_ID>
LMST04030022

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,7alpha,24-triol

> <FORMULA>
C27H48O3

> <MASS>
420.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VDKSIHRRZLCAGD-RESWAWEDSA-N

> <INCHI>
InChI=1S/C27H48O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0062418

> <CHEBI_ID>
48700

> <ABBREVIATION>
ST 27:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284198

> <LIPIDBANK_ID>
BBA0330

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$