LMST01060036
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0     0  0            999 V2000
    8.9239   -4.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8053   -5.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8053   -6.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9239   -6.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0426   -6.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0426   -5.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6867   -4.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5682   -5.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5682   -6.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6867   -6.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6866   -3.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5681   -3.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4494   -3.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4494   -4.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3306   -3.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2120   -3.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2121   -4.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3306   -2.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2119   -1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4493   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0932   -2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9746   -1.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8561   -2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8561   -3.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7373   -1.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6867   -5.3014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5553   -4.4148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1612   -6.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8941   -4.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5377   -2.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4746   -5.3212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9746   -0.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0932   -3.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8669   -2.8638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0928   -1.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126   -3.1430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4422   -6.6966    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  2  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
 15 18  1  0     0  0
 18 19  1  0     0  0
 18 20  1  6     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
  7 26  1  6     0  0
  8 27  1  1     0  0
  5 28  1  1     0  0
  2 29  1  1     0  0
 13 30  1  1     0  0
 14 31  1  6     0  0
 22 32  1  6     0  0
 21 33  1  0     0  0
 15 34  1  6     0  0
 21 35  1  1     0  0
 19 35  1  1     0  0
 11 36  2  0     0  0
  9 37  2  0     0  0
M  END
> <LM_ID>
LMST01060036

> <COMMON_NAME>
Klyflaccisteroid D

> <SYSTEMATIC_NAME>
3beta,hydroxy-gorgost-5-en-7,11-dione

> <FORMULA>
C30H46O3

> <MASS>
454.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Gorgosterols and derivatives [ST0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CRKKSAQFJQXOIL-FEWQXMAASA-N

> <INCHI>
InChI=1S/C30H46O3/c1-16(2)18(4)29(6)14-23(29)17(3)21-8-9-22-26-24(32)13-19-12-20(31)10-11-28(19,5)27(26)25(33)15-30(21,22)7/h13,16-18,20-23,26-27,31H,8-12,14-15H2,1-7H3/t17-,18+,20-,21+,22-,23+,26+,27-,28-,29+,30+/m0/s1

> <SMILES>
C1C[C@H](O)CC2=CC(=O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@H]5C[C@]5(C)[C@H](C)C(C)C)[C@@]4(C)CC(=O)[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163107973

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1382569

> <CITATION>
-

$$$$