LMST03020622
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0  0  0  0  0  0  0  0999 V2000
    6.2647    6.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2647    5.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9778    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    5.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    6.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9778    6.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9778    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    8.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    8.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042    9.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   10.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910   10.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9778   10.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9778    9.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1873    9.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6714    9.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1873   10.4361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1873   11.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9005   11.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6136   11.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4013    6.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042    8.5348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9828   10.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0790   11.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7922   11.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3267   11.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4013    5.2492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   11.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4771   11.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5053   11.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3482   12.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6861   10.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5093   10.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2185   11.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9316   11.1828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6448   11.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3580   11.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2185   12.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1873   12.0831    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  2  0  0  0  0
 25 26  1  0  0  0  0
 20 27  1  0  0  0  0
 27 25  1  0  0  0  0
  2 21  1  6  0  0  0
  4 28  1  1  0  0  0
 11 29  1  1  0  0  0
 10 23  1  6  0  0  0
 17 24  1  6  0  0  0
 17 18  1  0  0  0  0
 18 30  1  6  0  0  0
 18 19  1  0  0  0  0
 26 31  2  0  0  0  0
 27 32  1  1  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 25  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 35 39  2  0  0  0  0
 18 40  1  1  0  0  0
M  END
> <LM_ID>
LMST03020622

> <COMMON_NAME>
ZK 168281

> <SYSTEMATIC_NAME>
(5Z,7E,22E)-(1S,3R,24R)-25-(carboethoxy-methylene)-26,26-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol

> <FORMULA>
C32H46O5

> <MASS>
510.33

> <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>
166756

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9806383

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020622

$$$$