LMPR04000035
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    8.5462    8.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3900    8.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7031    8.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5595    9.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2372    8.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3900    7.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3727    9.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6989    7.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8466    8.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6949    9.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4024   10.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2413    9.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0769    8.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2331    7.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5379    6.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8466    6.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0078    8.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0935   10.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9157    8.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0078    7.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3973    5.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2477    6.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9199    9.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1016   11.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0852    9.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7588   10.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7672   11.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6949    6.4607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2372   10.8413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    7.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1493    8.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9199   10.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9337   11.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6332   11.7901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7248   10.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4660    9.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  2  7  1  1     0  0
  3  8  1  0     0  0
  3  9  1  0     0  0
  3 10  1  1     0  0
  4 11  1  0     0  0
  5 12  1  0     0  0
  5 13  1  0     0  0
  5 14  1  6     0  0
  6 15  1  0     0  0
  8 16  1  0     0  0
  9 17  1  0     0  0
 12 18  1  0     0  0
 13 19  1  0     0  0
 16 20  1  0     0  0
 16 21  1  0     0  0
 16 22  1  0     0  0
 18 23  1  0     0  0
 18 24  1  0     0  0
 18 25  1  6     0  0
 23 26  1  0     0  0
  8 15  1  0     0  0
 11 12  1  0     0  0
 17 20  1  0     0  0
 19 23  1  0     0  0
 26 27  1  0     0  0
  8 28  1  6     0  0
 12 29  1  1     0  0
  1 30  1  6     0  0
 17 31  1  1     0  0
 23 32  1  1     0  0
 24 33  1  0     0  0
 27 33  1  0     0  0
 27 34  1  6     0  0
 26 35  1  1     0  0
 26 36  1  6     0  0
M  END
> <LM_ID>
LMPR04000035

> <COMMON_NAME>
2R-methyl-tetrahymanol

> <SYSTEMATIC_NAME>
2R-methyl-tetrahymanol

> <FORMULA>
C31H54O

> <MASS>
442.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Hopanoids [PR04]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-methyl-tetrahymanol

> <INCHI_KEY>
IRUAZLSVSAWHSS-GDKFKXPASA-N

> <INCHI>
InChI=1S/C31H54O/c1-20-18-26(2,3)21-12-16-31(9)24(29(21,7)19-20)11-10-23-28(6)15-14-25(32)27(4,5)22(28)13-17-30(23,31)8/h20-25,32H,10-19H2,1-9H3/t20-,21+,22+,23-,24-,25+,28+,29+,30-,31-/m1/s1

> <SMILES>
[C@]12([H])CC[C@]3([H])[C@@]4(C)CC[C@H](O)[C@@](C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)C[C@@H](C)C[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
132463

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101124567

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1076

> <CITATION>
20421508

$$$$