LMST03020180
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0     0  0            999 V2000
    9.4394    6.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5374    6.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5374    8.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884    8.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884    9.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4062   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4062   11.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884   11.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4394    8.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4884   12.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4062   13.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3238   12.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3238   11.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1593   11.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1593   12.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416   13.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3238   13.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2442    8.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416   14.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3785   14.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9757   14.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7098   14.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4441   14.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1782   14.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9124   14.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1782   13.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9640   13.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6834   11.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3238   11.0174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0463   13.8765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416   15.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  6  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
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  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  1  0  0  0  0
 20 21  1  6  0  0  0
  3 28  1  0  0  0  0
 16 29  1  1  0  0  0
  9 30  2  0  0  0  0
 14 31  1  6  0  0  0
 17 32  1  6  0  0  0
 20 33  1  1  0  0  0
M  END
> <LM_ID>
LMST03020180

> <COMMON_NAME>
calicoferol B

> <SYSTEMATIC_NAME>
(8S,16S)-3,16-dihydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <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>
9547398

> <LIPIDBANK_ID>
VVD0198

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020180

$$$$