LMST03020601
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.3612    7.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    7.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    7.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    8.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    9.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746   10.4639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3302   10.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3302   11.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746   12.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3612    8.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746   13.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3302   13.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   13.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   12.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8967   12.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8967   13.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0412   13.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   14.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   11.6894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7915   14.3547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0412   14.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8967   15.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7522   14.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6076   15.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4631   14.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3186   15.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4631   13.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0412   15.8972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0870   15.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167    9.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2166    7.3663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3186   14.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    6.3606    0.0000 Cl  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
 14 19  1  6  0  0  0
 17 20  1  6  0  0  0
 17 21  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  1  0  0  0
 21 29  1  6  0  0  0
 10 30  2  0  0  0  0
  3 31  1  6  0  0  0
  1 32  1  1  0  0  0
 25 33  1  0  0  0  0
  2 34  1  6  0  0  0
M  END
> <LM_ID>
LMST03020601

> <COMMON_NAME>
2beta-chloro-1alpha,25-dihydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1R,2R,3R)-2-chloro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C27H43O3Cl

> <MASS>
450.29

> <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>
178627

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547694

> <LIPIDBANK_ID>
VVD0704

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020601

$$$$