LMST01100044
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0     0  0            999 V2000
    3.7531   -6.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6198   -6.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6198   -7.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7531   -8.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864   -7.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864   -6.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4866   -6.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534   -6.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534   -7.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4866   -8.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4865   -5.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533   -4.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2201   -5.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2201   -6.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0868   -4.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9535   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9536   -6.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6198   -5.8798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0197   -8.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1328   -4.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3074   -7.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0868   -3.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9534   -3.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2200   -3.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8202   -3.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6870   -3.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5538   -3.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5935   -8.6169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3412   -6.0588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4204   -3.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5538   -4.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6533   -4.5035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865   -9.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3964   -9.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9533   -2.3767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6869   -2.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533   -3.8789    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  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
  7 18  1  1     0  0
  2 18  1  1     0  0
  5 19  1  1     0  0
 13 20  1  1     0  0
 14 21  1  6     0  0
 15 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  6     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
  3 28  1  6     0  0
  8 29  1  1     0  0
 27 30  1  0     0  0
 27 31  1  0     0  0
 15 32  1  6     0  0
  4 33  1  0     0  0
  4 34  1  0     0  0
 23 35  1  6     0  0
 26 36  2  0     0  0
 12 37  2  0     0  0
M  END
> <LM_ID>
LMST01100044

> <COMMON_NAME>
24-methylencycloartan-12-oxo-3beta,22R-diol

> <SYSTEMATIC_NAME>
24-methylene-12-oxo-9beta,19-cyclolanost-24-en-3beta,22R-diol

> <FORMULA>
C31H50O3

> <MASS>
470.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cycloartanols and derivatives [ST0110]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FQHIROQUUAIBKB-ANXFHEQYSA-N

> <INCHI>
InChI=1S/C31H50O3/c1-18(2)19(3)15-22(32)20(4)21-11-13-28(7)24-10-9-23-27(5,6)25(33)12-14-30(23)17-31(24,30)16-26(34)29(21,28)8/h18,20-25,32-33H,3,9-17H2,1-2,4-8H3/t20-,21+,22+,23-,24-,25-,28-,29-,30+,31-/m0/s1

> <SMILES>
C1C[C@H](O)C(C)(C)[C@]2([H])CC[C@@]3([H])[C@]4(C)CC[C@]([H])([C@H](C)[C@H](O)CC(=C)C(C)C)[C@@]4(C)C(=O)C[C@@]43C[C@]124

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 31:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118848

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1640456

> <CITATION>
34881656

$$$$