LMST01030093
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.8940    6.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1131    6.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1131    5.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8940    5.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    5.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4560    5.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2371    5.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2371    6.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4560    6.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    6.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4560    7.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2371    8.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    7.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    6.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5800    6.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5800    7.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7990    8.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    8.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    7.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7990    9.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0646    9.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4238    9.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0486    9.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6734    9.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2980    9.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9229    9.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2980    8.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3048    8.5863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7990    9.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6720    9.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4389    6.1831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    6.2418    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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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  2  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
  3 30  1  1  0  0  0
 24 31  1  6  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
M  END
> <LM_ID>
LMST01030093

> <COMMON_NAME>
Ergosterol

> <SYSTEMATIC_NAME>
ergosta-5,7,22E-trien-3beta-ol

> <FORMULA>
C28H44O

> <MASS>
396.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DNVPQKQSNYMLRS-APGDWVJJSA-N

> <INCHI>
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)CC[C@@]4([H])C3=CC=C2C[C@@H](O)C1

> <KEGG_ID>
C01694

> <HMDB_ID>
HMDB00878

> <CHEBI_ID>
16933

> <ABBREVIATION>
ST 28:3;O

> <CAYMAN_ID>
19850

> <SWISSLIPIDS_ID>
SLM:000000326

> <PUBCHEM_COMPOUND_ID>
444679

> <LIPIDBANK_ID>
SST9075

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$