LMST01031021
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    7.5876    8.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5876    7.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    6.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    8.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2933    8.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2945    7.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1463    6.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0020    7.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049   10.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1447    9.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8569    9.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5454    8.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5528    9.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7058   10.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7117   11.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5702   11.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8586   11.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4231   11.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2818   11.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1346   11.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9934   11.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1287   10.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2876   12.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8496   10.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2844    9.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4172   10.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2893    6.3441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1437    8.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8499    8.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9956    8.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1437    7.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8499    7.8215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9956    9.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3512   10.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 31 12  1  0  0  0  0
  7  8  1  0  0  0  0
 14 15  1  1  0  0  0
  8 32  1  0  0  0  0
 15 16  1  0  0  0  0
 30 32  1  0  0  0  0
 15 17  1  6  0  0  0
  3  6  1  0  0  0  0
 16 18  2  0  0  0  0
  5  4  1  0  0  0  0
 18 19  1  0  0  0  0
  5  6  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 30 10  1  0  0  0  0
 20 22  1  0  0  0  0
 32 31  1  0  0  0  0
 19 23  1  6  0  0  0
 11  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 24  1  1  0  0  0
 11 31  1  0  0  0  0
  5 25  1  1  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2 26  1  1  0  0  0
  2  3  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 27  1  6  0  0  0
 18 28  1  0  0  0  0
 14 11  1  0  0  0  0
  6 29  1  6  0  0  0
 30 33  1  6  0  0  0
 31 34  1  6  0  0  0
 32 35  1  1  0  0  0
 14 36  1  6     0  0
M  END
> <LM_ID>
LMST01031021

> <COMMON_NAME>
Dinosterol

> <SYSTEMATIC_NAME>
4 alpha,23,24R-trimethyl-5 alpha-cholest-22-en-3beta-ol

> <FORMULA>
C30H52O

> <MASS>
428.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4 alpha,23,24-trimethyl-5 alpha-cholest-22-en-3beta-ol; 4alpha,23-dimethyl-5alpha-ergost-22E-en-3beta-ol

> <INCHI_KEY>
LPFIPZJIWTZLEY-DAABMGJCSA-N

> <INCHI>
InChI=1S/C30H52O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h17-18,20-28,31H,9-16H2,1-8H3/b19-17+/t20-,21-,22+,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1

> <SMILES>
C1C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])[C@H](C)[C@H]1O)[C@H](C)/C=C(\C)/[C@H](C)C(C)C)C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6441076

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2926; 2866

> <CITATION>
942735; 7191465

$$$$