LMST03020279
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    9.1188    6.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2350    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3510    6.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3510    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2350    8.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2350    9.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0880    9.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0880   10.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2350   11.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1188    7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2350   12.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0880   12.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409   12.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409   11.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6469   11.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6469   12.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7940   12.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409   13.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409   10.6888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5420   13.3462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7940   13.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6469   14.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7940   14.8841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8426   14.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4981    8.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1475    9.2908    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1475   10.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2350   10.3565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998   13.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3527   14.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2057   13.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0587   14.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2057   12.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0587   13.4068    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  6  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  1  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
M  END
> <LM_ID>
LMST03020279

> <COMMON_NAME>
(6R)-25-hydroxyvitamin D3 6,19-sulfur dioxide adduct

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

> <FORMULA>
C27H44O4S

> <MASS>
464.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(6R)-25-hydroxycholecalciferol 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>
9547442

> <LIPIDBANK_ID>
VVD0306

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020279

$$$$