LMST03020414
  LIPID_MAPS_STRUCTURE_DATABASE

 37 39  0     0  0            999 V2000
    9.3637    6.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    6.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    7.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763    8.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763    9.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326    9.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326   10.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763   11.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3637    7.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763   12.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326   12.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   12.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   11.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9016   11.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9016   12.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0453   12.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   13.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   10.7059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7963   13.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0453   13.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9015   14.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7579   13.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6141   14.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4704   13.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3267   14.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4704   12.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0453   14.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0902   14.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2199    8.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3325   13.7064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8382   14.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8495   14.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3325   15.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3267   13.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2199    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
 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
 18 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 25 36  1  0  0  0  0
  1 37  1  1  0  0  0
M  END
> <LM_ID>
LMST03020414

> <COMMON_NAME>
18-acetoxy-1alpha,25-dihydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C29H46O5

> <MASS>
474.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
18-acetoxy-1alpha,25-dihydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
73917

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547521

> <LIPIDBANK_ID>
VVD0502

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020414

$$$$