LMST01030099
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    8.3594    8.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4110    7.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4110    6.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3594    6.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3079    6.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2563    6.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2049    6.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2049    7.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2563    8.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3079    7.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2563    9.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2049   10.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1533    9.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1533    8.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0503    8.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0503    9.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1019   10.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1533   10.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3079    8.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1019   10.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2100   11.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8607   11.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6193   10.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3781   11.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1368   10.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8957   11.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1368   10.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7161   10.4153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1019   11.8711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3764   12.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2049    8.8013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2357    7.4968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1533    7.5680    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  1  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  2  0  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>
LMST01030099

> <COMMON_NAME>
Chalinasterol

> <SYSTEMATIC_NAME>
24-methylene-cholest-5-en-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>
Ostreasterol; 24-methylene-cholesterol

> <INCHI_KEY>
INDVLXYUCBVVKW-PXBBAZSNSA-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/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,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)CCC(=C)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
C15781

> <HMDB_ID>
HMDB06849

> <CHEBI_ID>
19812

> <ABBREVIATION>
ST 28:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92113

> <LIPIDBANK_ID>
SST9066

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6058; 57577

> <CITATION>
21009617

$$$$