LMST01010402
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   -3.7098   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6371   -1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6371   -2.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7098   -2.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7823   -2.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550   -2.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9273   -2.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9273   -1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7823   -1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550    0.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9273    0.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    0.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550    0.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274    0.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7823   -0.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274    1.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1202    2.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694    2.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113    1.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533    2.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8953    1.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6371    2.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8953    1.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9273   -0.2858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8550   -1.4092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062    1.2878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4973   -2.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 20  1  0     0  0
 20 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 25 27  1  0     0  0
  1 10  1  0     0  0
  5 10  1  0     0  0
  9 10  1  0     0  0
  8 14  1  0     0  0
 13 17  1  0     0  0
 13 18  1  1     0  0
 10 19  1  1     0  0
 20 21  2  0     0  0
  8 28  1  1     0  0
  9 29  1  6     0  0
 14 30  1  6     0  0
 17 31  1  6     0  0
  3 32  2  0     0  0
M  END
> <LM_ID>
LMST01010402

> <COMMON_NAME>
Pentalinonsterol

> <SYSTEMATIC_NAME>
Cholest-4,20,24-trien-3-one

> <FORMULA>
C27H40O

> <MASS>
380.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JCMUAVNMHGMASN-HBEKHWMPSA-N

> <INCHI>
InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,17,22-25H,3,6,8-16H2,1-2,4-5H3/t22-,23+,24-,25-,26-,27+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71464743

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1936448

> <CITATION>
22840389

$$$$