LMST03020605
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    9.4338    6.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5358    6.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5358    8.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848    8.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848    9.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4006   10.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4006   11.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848   11.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4338    8.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4848   12.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4006   13.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3165   12.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3165   11.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1481   11.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1481   12.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2322   13.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3165   13.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2370    8.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2322   14.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3710   14.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9650   14.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6976   14.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4303   14.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1627   14.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8955   14.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1627   13.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6816   11.3471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3165   11.0078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0355   13.8610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2322   15.0462    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  2  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
  9 29  2  0  0  0  0
 14 30  1  6  0  0  0
 17 31  1  6  0  0  0
 20 32  1  1  0  0  0
M  END
> <LM_ID>
LMST03020605

> <COMMON_NAME>
calicoferol A

> <SYSTEMATIC_NAME>
(22E)-(8S)-3-hydroxy-9,10-seco-1,3,5(10),22-cholestatetraen-9-one

> <FORMULA>
C27H40O2

> <MASS>
396.30

> <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>
187216

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547698

> <LIPIDBANK_ID>
VVD0114

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020605

$$$$