LMST03020683
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.2665    6.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2665    5.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    5.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    6.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816    6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816    7.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    7.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    8.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4116    9.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4116    9.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966   10.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816    9.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9816    9.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1968    8.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6821    9.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1968   10.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1968   11.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9118   11.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6269   11.0279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4087    6.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3419   11.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4847   11.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4087    5.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4116   10.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0540   11.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0540   10.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7690    9.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4841   10.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4841   11.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7690   11.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4116    8.2959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9943   10.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1991   11.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9141   11.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1991   12.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9141   11.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1968   11.8535    0.0000 H   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  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 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  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
  5 22  2  0  0  0  0
 19 20  1  0  0  0  0
 20 23  1  0  0  0  0
 18 24  1  6  0  0  0
  2 21  1  6  0  0  0
  4 25  1  1  0  0  0
 11 26  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 10 33  1  6  0  0  0
 17 34  1  6  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 18 39  1  1  0  0  0
M  END
> <LM_ID>
LMST03020683

> <COMMON_NAME>
Atocalcitol

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-23-oxa-24-[3-(1-hydroxy-1-methylethyl)phenyl]-25,26,27-trinor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

> <FORMULA>
C32H46O4

> <MASS>
494.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779652

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020683

$$$$