LMST01030114
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    8.3595    8.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4111    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4111    6.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3595    6.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3080    6.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2564    6.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2050    6.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2050    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2564    8.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3080    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2564    9.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2050   10.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1534    9.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1534    8.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0504    8.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0504    9.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1020   10.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1534   10.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3080    8.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1020   10.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2101   11.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8608   11.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6194   10.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3782   11.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1369   10.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8958   11.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1369   10.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7162   10.4154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1020   11.8712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3765   12.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2050    8.8014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2358    7.4969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1534    7.5681    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  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  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  1  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
M  END
> <LM_ID>
LMST01030114

> <COMMON_NAME>
24-epibrassicasterol

> <SYSTEMATIC_NAME>
campesta-5,22E-dien-3beta-ol

> <FORMULA>
C28H46O

> <MASS>
398.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Pincasterol; Crinosterol

> <INCHI_KEY>
OILXMJHPFNGGTO-SDMVIZLASA-N

> <INCHI>
InChI=1S/C28H46O/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/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20-,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=C/[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
C08813

> <HMDB_ID>
HMDB0011181

> <CHEBI_ID>
155905

> <ABBREVIATION>
ST 28:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283660

> <LIPIDBANK_ID>
SST9064

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1320698

> <CITATION>
6030051

$$$$