LMST03020194
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    9.3620    6.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5882    6.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5882    7.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751    8.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751    9.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3310    9.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3310   10.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751   11.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3620    7.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751   12.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3310   12.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867   12.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867   11.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8984   11.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8984   12.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0426   12.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867   13.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867   10.7031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7930   13.3694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0426   13.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8982   14.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7541   13.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6099   14.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4656   13.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3214   14.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4656   12.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0426   14.9123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0881   14.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2177    8.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2178    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7541   12.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3214   13.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6099   15.4062    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
  3 30  1  6  0  0  0
 10 31  2  0  0  0  0
  1 32  1  1  0  0  0
 23 33  1  6  0  0  0
 25 34  1  0  0  0  0
 24 35  2  0  0  0  0
M  END
> <LM_ID>
LMST03020194

> <COMMON_NAME>
(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,23R)-1,3,23,25-tetrahydroxy-9-10-seco-5,7,10(19)-cholestatrien-24-one

> <FORMULA>
C27H42O5

> <MASS>
446.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(23R)-1alpha,23,25-trihydroxy-24-oxocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547405

> <LIPIDBANK_ID>
VVD0212

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020194

$$$$