LMST03020486
  LIPID_MAPS_STRUCTURE_DATABASE

 38 40  0     0  0            999 V2000
    9.2746    6.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4884    6.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4884    7.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    8.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    9.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433    9.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433   10.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815   11.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    7.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815   12.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433   12.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   12.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   11.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288   11.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288   12.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9670   12.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   12.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303    8.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   10.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7227   13.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9670   13.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   14.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9670   14.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0059   13.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8238   14.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8188   14.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8140   14.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1363    6.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   15.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6757   13.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5375   14.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3992   13.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6757   12.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5375   12.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5375   13.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6905   15.6675    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
 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  6  0  0  0
 23 26  1  1  0  0  0
 24 27  1  0  0  0  0
 27 28  3  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  1  0  0  0
 24 31  1  6  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 32 37  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
> <LM_ID>
LMST03020486

> <COMMON_NAME>
(22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-22-methoxy-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol

> <FORMULA>
C31H48O4

> <MASS>
484.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epicholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547590

> <LIPIDBANK_ID>
VVD0576

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMST03020486

$$$$