LMPR04000036
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0     0  0            999 V2000
    8.7368    8.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6264    8.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8480    8.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7509    9.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5196    8.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6264    7.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    9.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8436    7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9450    8.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8393    9.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6395   10.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5240    9.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4050    8.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5196    7.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7280    6.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9450    6.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224   10.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2893    8.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3121    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4724    6.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2937    9.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4309   11.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    9.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1782   10.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1869   11.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625    9.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8948    9.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5031    8.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8436    6.4216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5240   10.5867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2937   10.5326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8253   10.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368    8.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7209    5.6935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3713    8.4037    0.0000 O   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
 24 27  1  0     0  0
 26 28  1  6     0  0
 28 29  1  0     0  0
 28 30  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 31  1  6     0  0
 12 32  1  1     0  0
 23 33  1  1     0  0
 26 34  1  1     0  0
  1 35  1  6     0  0
 15 36  1  6     0  0
 28 37  1  0     0  0
M  END
> <LM_ID>
LMPR04000036

> <COMMON_NAME>
Hopane-6alpha,22-diol

> <SYSTEMATIC_NAME>
Hopane-6alpha,22-diol

> <FORMULA>
C30H52O2

> <MASS>
444.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Hopanoids [PR04]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KYBLAIAGFNCVHL-PMVHANJISA-N

> <INCHI>
InChI=1S/C30H52O2/c1-25(2)14-9-15-28(6)23-11-10-22-27(5)16-12-19(26(3,4)32)20(27)13-17-29(22,7)30(23,8)18-21(31)24(25)28/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27-,28+,29+,30+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
67966

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
159931

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
102749; 50936

> <CITATION>
32998543

$$$$