LMST03020690
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0     0  0            999 V2000
    9.4279    6.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4808    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5339    6.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5339    8.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4808    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4808    9.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3948   10.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3948   11.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4808   11.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4279    8.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4808   12.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3948   13.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3085   12.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3085   11.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1361   11.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1361   12.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224   13.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3085   13.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2293    8.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224   14.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3630   14.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9534   14.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6845   14.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4155   14.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1464   14.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8775   14.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1464   13.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3085   10.9974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8237   13.7443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2224   15.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3986   12.0840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6148   11.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  0  0  0  0
 20 21  1  6  0  0  0
  3 28  1  0  0  0  0
 14 29  1  6  0  0  0
 17 30  1  6  0  0  0
 20 31  1  1  0  0  0
  8 32  1  1     0  0
  9 33  1  6     0  0
M  END
> <LM_ID>
LMST03020690

> <COMMON_NAME>
Subergorgiaol A

> <SYSTEMATIC_NAME>
9,10-seco-1,3,5(10)-cholestatrien-3,8beta,9alpha-triol

> <FORMULA>
C27H44O3

> <MASS>
416.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101909942

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020690

$$$$