LMST03020492
  LIPID_MAPS_STRUCTURE_DATABASE

 41 43  0     0  0            999 V2000
   13.6523    8.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7638    7.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8756    8.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8756    9.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7638    9.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7638   10.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6212   11.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6212   12.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7638   12.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6523    9.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7638   13.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6212   14.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4783   13.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4783   12.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1928   12.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1928   13.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3356   14.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4783   14.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4783   12.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0873   14.8476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3356   15.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1928   15.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0500   15.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9071   15.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7643   15.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6215   15.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7643   14.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3356   16.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3796   15.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5094    9.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0184    7.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5094    7.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6215   14.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0184    6.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1612    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3041    6.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4469    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5897    6.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8756    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5897    7.8452    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
 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
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  1  0  0  0
 21 29  1  6  0  0  0
 10 30  2  0  0  0  0
  3 31  1  6  0  0  0
  1 32  1  1  0  0  0
 25 33  1  0  0  0  0
 31 34  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 34 39  2  0  0  0  0
 38 40  1  0  0  0  0
 38 41  2  0  0  0  0
M  END
> <LM_ID>
LMST03020492

> <COMMON_NAME>
1alpha,25-dihydroxy-22-oxavitamin D3 3-hemiglutarate

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate

> <FORMULA>
C31H48O7

> <MASS>
532.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-22-oxacholecalciferol 3-hemiglutarate

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
168910

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547596

> <LIPIDBANK_ID>
VVD0582

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020492

$$$$