LMPR04000006
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7031    5.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4062    6.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4062    6.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7031    7.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1093    5.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8124    6.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8124    6.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1093    7.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    7.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    8.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8124    8.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1093    8.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2185    6.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9216    7.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2185    8.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2177    9.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9216    8.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6254    8.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6245    9.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4062    7.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8124    7.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4050    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0012    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    6.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2185    7.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3277    8.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0308    8.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7338    8.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1401    8.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8431    8.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5463    8.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1401    7.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5463    7.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4370    8.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4370    9.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3277    7.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7338    7.2808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8431    9.3077    0.0000 O   0  0  0  0  0  0  0  0  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  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 21  1  0  0  0  0
  5 22  1  1  0  0  0
  9 23  1  1  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
 11 26  1  6  0  0  0
 17 27  1  6  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 36 30  1  0  0  0  0
 31 36  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 31 34  1  6  0  0  0
 33 35  1  0  0  0  0
 36 37  1  1  0  0  0
 28 38  1  0  0  0  0
 30 39  1  1  0  0  0
 32 40  1  6  0  0  0
 20 28  1  0  0  0  0
M  END
> <LM_ID>
LMPR04000006

> <COMMON_NAME>
bacteriohopane-31,32,33,34,35-pentol

> <SYSTEMATIC_NAME>


> <FORMULA>
C35H62O5

> <MASS>
562.46

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Hopanoids [PR04]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZOALVRIRNMRRSN-PAKWGGQBSA-N

> <INCHI>
InChI=1S/C35H62O5/c1-21(19-24(37)29(39)30(40)25(38)20-36)22-11-16-32(4)23(22)12-17-34(6)27(32)9-10-28-33(5)15-8-14-31(2,3)26(33)13-18-35(28,34)7/h21-30,36-40H,8-20H2,1-7H3/t21?,22?,23?,24-,25+,26?,27?,28?,29+,30-,32-,33-,34+,35+/m0/s1

> <SMILES>
C1C[C@]2(C)C3CCC4[C@]5(C)C(C(C(C)C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)CC5)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608313

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2

> <CITATION>
17294511

$$$$