LMST01070027
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0     0  0            999 V2000
    5.4831   -7.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3639   -8.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3639   -9.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4831   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031   -9.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031   -8.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2439   -7.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1242   -8.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1242   -9.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2439   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2438   -6.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1241   -6.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -6.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -7.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7650   -6.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7651   -7.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8850   -6.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3639   -7.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -5.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7230   -9.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -7.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2818   -8.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0169   -8.3919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0961   -5.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1065   -5.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199   -5.9369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4268   -4.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6064   -4.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6064   -4.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1063   -3.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1063   -3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6062   -2.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3889   -9.9584    0.0000 H   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  2  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
 15 16  1  0     0  0
 14 16  1  0     0  0
 13 17  1  0     0  0
 17 15  1  0     0  0
  2 18  1  1     0  0
 13 19  1  1     0  0
  5 20  2  0     0  0
  8 21  1  1     0  0
  7 22  1  6     0  0
 14 23  1  6     0  0
 17 24  1  1     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 15 26  1  1     0  0
 24 27  1  0     0  0
 25 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 30 32  1  0     0  0
  3 33  1  6     0  0
M  END
> <LM_ID>
LMST01070027

> <COMMON_NAME>
Ximaosteroid E

> <SYSTEMATIC_NAME>
5alpha-furosta-1,20(22)-dien-3-one

> <FORMULA>
C27H40O2

> <MASS>
396.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Furostanols and derivatives [ST0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OTXVCICHLJESRP-LVXDJYSUSA-N

> <INCHI>
InChI=1S/C27H40O2/c1-16(2)6-9-23-17(3)25-24(29-23)15-22-20-8-7-18-14-19(28)10-12-26(18,4)21(20)11-13-27(22,25)5/h10,12,16,18,20-22,24-25H,6-9,11,13-15H2,1-5H3/t18-,20+,21-,22-,24-,25-,26-,27-/m0/s1

> <SMILES>
C1=CC(=O)C[C@]2([H])CC[C@@]3([H])[C@]4([H])C[C@@H]5OC(CCC(C)C)=C(C)[C@@H]5[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163112042

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2619369

> <CITATION>
35031429

$$$$