LMST03020003
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    9.2692    6.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3779    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4868    6.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4868    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3779    8.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3779    9.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2381    9.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2381   10.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3779   11.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2692    7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3779   12.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2381   12.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0979   12.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0979   11.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8181   11.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8181   12.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9581   12.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0979   13.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0234    8.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0979   10.7244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7121   13.4036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9581   13.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8179   14.4576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0981   14.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1291    6.3787    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  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  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
 10 19  2  0  0  0  0
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  1  6  0  0  0
 17 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  1  0  0  0
M  END
> <LM_ID>
LMST03020003

> <COMMON_NAME>
1alpha-hydroxy-20-oxo-22,23,24,25,26,27-hexanorvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-pregnatrien-20-one

> <FORMULA>
C21H30O3

> <MASS>
330.22

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha-hydroxy-20-oxo-22,23,24,25,26,27-hexanorcholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547263

> <LIPIDBANK_ID>
VVD0003

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020003

$$$$