LMST03020222
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
   10.2924    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2211    6.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2211    7.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2924    8.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2924    9.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2211   10.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1495    9.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1495    8.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0068    8.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0068    9.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0782   10.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1495   10.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0782   10.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2050   11.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8211   11.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5639   10.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3068   11.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0496   10.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7925   11.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0496   10.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1495    7.6909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8926   10.5839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0782   11.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3164    6.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3164    8.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3692    8.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4221    8.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4221    6.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3692    6.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9122    8.3618    0.0000 C   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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  3  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  1  0  0  0
 13 14  1  6  0  0  0
  8 21  1  6  0  0  0
 11 22  1  6  0  0  0
 13 23  1  1  0  0  0
  1 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 28 30  1  1  0  0  0
 25 31  1  0  0  0  0
M  END
> <LM_ID>
LMST03020222

> <COMMON_NAME>
previtamin D3

> <SYSTEMATIC_NAME>
(6Z)-(3S)-9,10-seco-5(10),6,8-cholestatrien-3-ol

> <FORMULA>
C27H44O

> <MASS>
384.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
precholecalciferol; (6Z)-tacalciol

> <KEGG_ID>
C07711

> <HMDB_ID>
HMDB06500

> <YMDB_ID>
-

> <CHEBI_ID>
8403

> <CAYMAN_ID>
33409

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281058

> <LIPIDBANK_ID>
VVD0241

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020222

$$$$