LMST03020080
  LIPID_MAPS_STRUCTURE_DATABASE

 39 41  0     0  0            999 V2000
    9.2597    6.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4840    6.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4840    7.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719    8.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719    9.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2287    9.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2287   10.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719   11.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2597    7.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3719   12.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2287   12.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0853   12.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0853   11.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7991   11.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7991   12.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9423   12.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0853   13.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0853   10.7081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9423   13.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7990   14.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9423   14.9222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9867   14.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7883   14.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7776   14.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7669   14.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6236   14.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7669   13.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6236   13.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1165    8.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6236   12.9436    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9102   12.9436    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.7669   12.4490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4803   14.4275    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.6236   15.9115    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4803   15.4168    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.7990   13.4383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1165    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
  3 19  1  6  0  0  0
 14 20  1  6  0  0  0
 17 21  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  1  1  0  0  0
 21 24  1  6  0  0  0
 22 25  1  0  0  0  0
 25 26  3  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 10 31  2  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 29 34  1  0  0  0  0
 28 35  1  0  0  0  0
 28 36  1  0  0  0  0
 28 37  1  0  0  0  0
 17 38  1  6  0  0  0
  1 39  1  1  0  0  0
M  END
> <LM_ID>
LMST03020080

> <COMMON_NAME>
26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol

> <FORMULA>
C27H34O3F6

> <MASS>
520.24

> <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-1alpha,25-dihydroxy-23,23,24,24-tetradehydrocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6918128

> <LIPIDBANK_ID>
VVD0087

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020080

$$$$