LMST01010619
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
   10.7087   -8.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185   -7.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6915   -9.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9370   -8.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8099   -6.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8271   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7044   -5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9370   -9.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0554   -7.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9283   -7.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8099  -10.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0554   -9.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1868   -8.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1868   -9.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2922   -7.5226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878   -9.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8099   -8.5598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9283  -10.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5969   -7.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2003   -7.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6318   -6.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6318   -5.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6274   -7.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6274   -8.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1704   -5.7007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038   -6.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3715   -5.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2554   -4.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038   -5.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7199   -4.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4876   -4.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5395   -3.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0233   -4.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1393   -6.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1393   -5.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1745   -6.1652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6904   -5.2031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038   -4.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7087   -6.9936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  6  0  0  0
  3  6  1  0  0  0  0
 21  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  1  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  6  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  1  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  1  0  0  0
 13 14  1  0  0  0  0
 14 16  1  1  0  0  0
 26 21  1  0  0  0  0
 21 23  1  0  0  0  0
 23 19  1  0  0  0  0
 26 20  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  1  0  0  0
 23 24  1  6  0  0  0
 26 25  1  6  0  0  0
 26 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 35  1  0  0  0  0
 29 30  1  6  0  0  0
 31 32  1  6  0  0  0
 35 33  1  0  0  0  0
 35 34  1  0  0  0  0
  5 36  1  6     0  0
  7 37  2  0     0  0
 29 38  1  1     0  0
  1 39  1  1     0  0
M  END
> <LM_ID>
LMST01010619

> <COMMON_NAME>
Spectasterone A

> <SYSTEMATIC_NAME>
2beta,3beta,5beta,11alpha,14alpha,20R,22R-heptahydroxy-cholesta-6,12-dione

> <FORMULA>
C27H44O9

> <MASS>
512.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01010619

$$$$