LMST03020304
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    9.3544    6.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5859    6.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5859    7.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    8.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    9.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3235    9.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3235   10.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701   11.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3544    7.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701   12.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3235   12.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1767   12.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1767   11.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8834   11.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8834   12.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0302   12.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1767   13.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1767   10.6906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7785   13.3491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0302   13.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8834   14.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0302   14.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0785   14.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2077    6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    8.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3822    9.2922    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3822   10.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5290    9.7848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701   10.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7367   13.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5901   14.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4433   13.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2965   14.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4433   12.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2965   13.4097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.3786    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  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
 33 36  1  0  0  0  0
  3 37  1  6  0  0  0
M  END
> <LM_ID>
LMST03020304

> <COMMON_NAME>
(6S)-1alpha,25-dihydroxyvitamin D3 6,19-sulfur dioxide adduct

> <SYSTEMATIC_NAME>
(7E)-(1S,3R,6S)-6,19-epithio-9,10-seco-5(10),7-cholestadiene-1,3,25-triol S,S-dioxide

> <FORMULA>
C27H44O5S

> <MASS>
480.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(6S)-1alpha,25-dihydroxycholecalciferol 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>
9547454

> <LIPIDBANK_ID>
VVD0331

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020304

$$$$