LMST03020419
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    9.3621    6.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    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
    8.4752    8.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    9.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3310    9.9714    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
    8.4752   11.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3621    7.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752   12.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3310   12.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1868   12.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1868   11.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8984   11.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8984   12.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0427   12.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1868   13.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1868   10.7032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7931   13.3693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0427   13.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8983   14.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7542   13.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6100   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
   15.3215   14.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4656   12.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0427   14.9123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0881   14.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2177    8.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2178    6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3215   13.4301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6194   12.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636   13.8903    0.0000 C   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
 25 33  1  0  0  0  0
 11 34  1  6  0  0  0
 34 35  1  0  0  0  0
M  END
> <LM_ID>
LMST03020419

> <COMMON_NAME>
11alpha-ethyl-1alpha,25-dihydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,11S)-11-ethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C29H48O3

> <MASS>
444.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11alpha-ethyl-1alpha,25-dihydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
191269

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547526

> <LIPIDBANK_ID>
VVD0509

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020419

$$$$