LMST03010038
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.3478    6.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4551    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5626    6.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5626    7.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4551    8.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4551    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3165    9.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3165   10.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4551   11.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3478    7.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4551   12.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3165   12.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1777   12.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1777   11.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9005   11.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9005   12.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0392   12.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1777   12.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031    8.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8072    6.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1777   10.4311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7945   13.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0392   13.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9004   14.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7617   13.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6231   14.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4843   13.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3456   14.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4843   12.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0392   14.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0786   13.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6231   15.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5938    9.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.1971    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  2  0  0  0  0
  5  6  1  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
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 27 29  1  0  0  0  0
 23 30  1  1  0  0  0
 23 31  1  0  0  0  0
 26 32  1  6  0  0  0
  6 33  1  6  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMST03010038

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(7E,22E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol

> <FORMULA>
C28H44O3

> <MASS>
428.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D2 and derivatives [ST0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FIEIGNNJOJBZPX-BGDBOJASSA-N

> <INCHI>
InChI=1S/C28H44O3/c1-18(2)19(3)9-10-21(5)25-13-14-26-22(8-7-15-28(25,26)6)16-27(31-30)24-17-23(29)12-11-20(24)4/h9-10,16-19,21,23,25-27,29-30H,4,7-8,11-15H2,1-3,5-6H3/b10-9+,22-16+/t19-,21+,23-,25+,26-,27+,28+/m0/s1

> <SMILES>
C1C(=C)C([C@H](OO)/C=C2/[C@]3([H])CC[C@@]([C@@](C)([H])/C=C/[C@H](C)C(C)C)([H])[C@@]3(C)CCC/2)=C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185783

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547241

> <LIPIDBANK_ID>
VVD0380

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$