LMST03020251
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    9.1178    6.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2342    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3506    6.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3506    7.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2342    8.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2342    9.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0869    9.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0869   10.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2342   11.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1178    7.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2342   12.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0869   12.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9395   12.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9395   11.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6448   11.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6448   12.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7922   12.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9395   13.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9395   10.6871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5400   13.3435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7922   13.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6448   14.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7922   14.8808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413   14.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9704    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4980    8.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1471    9.2898    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1471   10.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.7820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2342   10.3549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4974   13.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   14.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2026   13.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0552   14.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2026   12.9117    0.0000 C   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  2  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
  1 10  1  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
 14 19  1  6  0  0  0
 17 20  1  6  0  0  0
 17 21  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  1  1  0  0  0
 21 24  1  6  0  0  0
  1 25  1  1  0  0  0
  4 26  1  0  0  0  0
 27 26  1  0  0  0  0
 27  6  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  2  0  0  0  0
  6 30  1  6  0  0  0
 31 22  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <LM_ID>
LMST03020251

> <COMMON_NAME>
(6S)-vitamin D3 6,19-sulfur dioxide adduct

> <SYSTEMATIC_NAME>
(7E)-(3S,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadien-3-ol S,S-dioxide

> <FORMULA>
C27H44O3S

> <MASS>
448.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(6S)-cholecalciferol 6,19-sulfur dioxide adduct

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547433

> <LIPIDBANK_ID>
VVD0278

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020251

$$$$