LMST01031088
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.0144    7.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2366    6.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2366    5.8982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0144    5.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5702    5.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    5.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    6.7964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5702    7.2457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7924    6.7964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5702    8.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    8.5931    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1261    8.1439    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1261    7.2457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6821    7.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6821    8.1439    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9041    8.5931    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1261    8.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924    7.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9041    9.3117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1726    9.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5264    9.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1488    9.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3934    9.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0157    9.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3934    8.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    7.5601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1261    6.5486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4079    8.8839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9041   10.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5702    6.5634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    9.2753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3643    8.5378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7711    9.6710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7370   10.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7924    5.8982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7924    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 36  1  0  0  0  0
 36  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  2  0  0  0  0
 22 34  1  0  0  0  0
 34 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
 36  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 26  1  1  0  0  0
 13 27  1  6  0  0  0
 16 28  1  6  0  0  0
 19 29  1  1  0  0  0
  8 30  1  6  0  0  0
  3 31  1  6  0  0  0
 11 32  1  6  0  0  0
 15 33  1  6  0  0  0
 34 35  1  6  0  0  0
 36 37  1  6  0  0  0
M  END
> <LM_ID>
LMST01031088

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5alpha-ergost-22E-en-3alpha,12alpha,16alpha-triol

> <FORMULA>
C28H48O3

> <MASS>
432.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NJXFGFILMQEWFG-IIUCPLJKSA-N

> <INCHI>
InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)26-24(30)14-23-21-10-9-19-13-20(29)11-12-27(19,5)22(21)15-25(31)28(23,26)6/h7-8,16-26,29-31H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26-,27-,28+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186651

> <ABBREVIATION>
ST 28:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25208132

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$