LMST03020094
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    9.2731    6.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4879    6.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4879    7.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804    8.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804    9.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2418    9.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2418   10.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2731    7.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3804   12.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2418   12.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1030   12.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1030   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8258   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8258   12.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9645   12.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1030   13.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0285    8.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.4397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1030   10.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7199   13.4145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9645   13.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8258   14.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9645   14.9673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0039   14.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8202   14.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8147   14.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8093   14.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8093   13.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6706   14.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6706   13.9728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1343    6.3786    0.0000 O   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  1  0  0  0
 23 26  1  6  0  0  0
 24 27  1  0  0  0  0
 27 28  3  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
  1 33  1  1  0  0  0
 31 32  1  0  0  0  0
M  END
> <LM_ID>
LMST03020094

> <COMMON_NAME>
25,26-epoxy-1alpha-hydroxy-23,23,24,24-tetradehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3-diol

> <FORMULA>
C27H38O3

> <MASS>
410.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
25,26-epoxy-1alpha-hydroxy-23,23,24,24-tetradehydrocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547344

> <LIPIDBANK_ID>
VVD0104

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020094

$$$$