LMST01031318
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    8.6476    9.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7675    9.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7675    8.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6476    7.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    8.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3722    7.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2522    8.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2522    9.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3722    9.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    9.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3722   10.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2522   11.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0970   10.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0970    9.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8217    9.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8217   10.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9769   11.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0970   11.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    9.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9769   12.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0970   12.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8570   12.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7017   12.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5818   12.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4265   11.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4265   10.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3066   12.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6439   11.4132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3722    6.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9769   13.0541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0970    8.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4887    7.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3722    8.8382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8570   13.5276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6058   13.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4478   13.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9048    9.5119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9048    7.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5095   11.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  1  0  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 28  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
 29  6  2  0  0  0  0
 22 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
 27 25  1  0  0  0  0
 26 25  1  0  0  0  0
  3  2  1  0  0  0  0
 14 31  1  6     0  0
 20 30  1  1  0  0  0
  5 32  1  1     0  0
  9 33  1  6     0  0
 22 34  1  6     0  0
 24 35  1  6     0  0
 24 36  1  1     0  0
  2 37  1  1     0  0
  3 38  1  1     0  0
 11 39  1  6     0  0
M  END
> <LM_ID>
LMST01031318

> <COMMON_NAME>
Paxillosterone

> <SYSTEMATIC_NAME>
2beta,3beta,11alpha,14alpha,20R,22R,24-heptahydroxy-5beta-ergosta-7-en-6-one

> <FORMULA>
C28H46O8

> <MASS>
510.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FWHGDMDGGPTQCK-RADOCEPBSA-N

> <INCHI>
InChI=1S/C28H46O8/c1-14(2)26(5,34)13-22(33)27(6,35)21-7-8-28(36)16-10-17(29)15-9-18(30)19(31)11-24(15,3)23(16)20(32)12-25(21,28)4/h10,14-15,18-23,30-36H,7-9,11-13H2,1-6H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@]([H])([C@H](O)C[C@]4([C@@]3(O)CC[C@]4([H])[C@](O)(C)[C@H](O)C[C@](O)(C)C(C)C)C)[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15839567

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
72122

> <CITATION>
-

$$$$