LMPR04000049
  LIPID_MAPS_STRUCTURE_DATABASE

 37 42  0  0  0  0  0  0  0  0999 V2000
    8.6051    7.0508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4565    7.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4565    8.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6051    9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3078    9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3078    9.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4565   10.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6051    9.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1592    8.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0103    9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1592   10.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1581   11.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0103    9.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8625   10.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8614   11.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    9.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4565    9.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3078    8.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1592    9.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7128   10.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5641   10.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4154   10.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2668   10.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2668   11.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7128    9.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    8.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    7.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9138    7.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9053    9.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    8.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7538    7.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2116    6.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6081    6.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2001   11.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7770   10.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2001   10.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5090    9.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 31  1  1  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 30  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11  6  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 15  1  0  0  0  0
 30 16  1  1  0  0  0
  3 17  1  1  0  0  0
  5 18  1  6  0  0  0
 11 19  1  6  0  0  0
 20 25  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 28  1  0  0  0  0
 28 31  1  0  0  0  0
 30 29  1  0  0  0  0
 30 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 14 20  1  0  0  0  0
 24 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 23  1  0     0  0
 36 37  2  0     0  0
M  END
> <LM_ID>
LMPR04000049

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
32-(3-Oxotetrahydrofuran)-bacteriohopane

> <FORMULA>
C35H58O2

> <MASS>
510.44

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Hopanoids [PR04]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
oxo-anhydroBHdiol

> <INCHI_KEY>
KPFYGVVYJWXJEL-CNTMMNIUSA-N

> <INCHI>
InChI=1S/C35H58O2/c1-23(9-10-27-26(36)16-22-37-27)24-13-19-32(4)25(24)14-20-34(6)29(32)11-12-30-33(5)18-8-17-31(2,3)28(33)15-21-35(30,34)7/h23-25,27-30H,8-22H2,1-7H3/t23?,24?,25?,27?,28?,29?,30?,32-,33-,34+,35+/m0/s1

> <SMILES>
C1C[C@@]2(C)[C@]3(C)CCC4C(C(CCC5C(=O)CCO5)C)CC[C@]4(C)C3CCC2[C@@]2(C1C(C)(C)CCC2)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
412755

> <CITATION>
-

$$$$