LMST03020012
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    9.1032    6.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2242    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3452    6.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3452    7.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2242    8.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2242    9.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0724    9.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0724   10.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2242   11.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1032    7.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2242   12.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0724   12.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9205   12.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9205   11.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6170   11.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6170   12.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7689   12.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9205   13.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9205   10.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5128   13.3073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7689   13.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6170   14.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7689   14.8365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8229   14.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4651   13.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970    8.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1429    9.2746    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1429   10.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.7643    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  4  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
 22 25  1  0  0  0  0
  1 26  1  1  0  0  0
  4 27  1  0  0  0  0
 28 27  1  0  0  0  0
 28  6  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  2  0  0  0  0
M  END
> <LM_ID>
LMST03020012

> <COMMON_NAME>
(6RS)-22-hydroxy-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct

> <SYSTEMATIC_NAME>
(7E)-(3S,6RS)-6,19-epithio-23,24-dinor-9,10-seco-5(10),7-choladiene-3,22-diol S,S-dioxide

> <FORMULA>
C22H34O4S

> <MASS>
394.22

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(6RS)-22-hydroxy-23,24,25,26,27-pentanorcholecalciferol 6,19-sulfur dioxide adduct

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
191266

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547272

> <LIPIDBANK_ID>
VVD0013

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020012

$$$$