LMST01031116
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.9246    8.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9742    8.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9742    6.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9246    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8748    6.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8249    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7752    6.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7752    8.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8249    8.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8748    8.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8249    9.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7752   10.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7254    9.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7254    8.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6259    8.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6259    9.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6757   10.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7254   10.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8748    8.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6757   11.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7822   11.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1960   11.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9563   11.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7164   11.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4767   11.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7164   10.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2911   10.5562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6757   12.0148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9546   12.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7752    8.9392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8043    7.6322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7254    7.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4358   11.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4358   12.4487    0.0000 O   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  2  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 34  1  0  0  0  0
 34 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
 24 26  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 27  1  6  0  0  0
 20 28  1  1  0  0  0
  3 29  2  0  0  0  0
 23 30  1  1  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
 34 35  1  1  0  0  0
M  END
> <LM_ID>
LMST01031116

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
22S-hydroxy-campest-4-en-3-one

> <FORMULA>
C28H46O2

> <MASS>
414.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22S, 24R)-22-hydroxyergost-4-en-3-one

> <INCHI_KEY>
FMFAICDKESPFNH-NQMBQAPESA-N

> <INCHI>
InChI=1S/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22+,23-,24+,25+,26+,27+,28-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)[C@@H](O)C[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
72330

> <ABBREVIATION>
ST 28:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15341631

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3702

> <CITATION>
19818976

$$$$