LMST03020085
  LIPID_MAPS_STRUCTURE_DATABASE

 38 40  0     0  0            999 V2000
    9.2747    6.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4884    6.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4884    7.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    8.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    9.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434    9.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434   10.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815   11.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747    7.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815   12.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434   12.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   12.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   11.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8289   11.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8289   12.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9671   12.9822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   13.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0305    8.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   10.7337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7228   13.4187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9671   13.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288   14.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9671   14.9724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0059   14.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6906   13.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5523   14.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4141   13.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2759   14.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4141   12.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1375   13.9774    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2759   15.4699    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.1375   14.9724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2758   12.4849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5524   12.4849    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4141   11.9872    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1363    6.3788    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
 24 23  1  0  0  0  0
 23 25  1  1  0  0  0
 23 26  1  6  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 36  1  0  0  0  0
 31 37  1  0  0  0  0
  1 38  1  1  0  0  0
M  END
> <LM_ID>
LMST03020085

> <COMMON_NAME>
26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

> <FORMULA>
C27H38O2F6

> <MASS>
508.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
26,26,26,27,27,27-hexafluoro-1alphaa-hydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547336

> <LIPIDBANK_ID>
VVD0095

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020085

$$$$