LMST01031396
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    5.8792   -7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9308   -8.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9308   -9.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -9.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8277   -9.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7761   -9.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7247   -9.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7247   -8.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7761   -7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8277   -8.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7761   -6.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7247   -6.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6731   -6.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6731   -7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5701   -7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5701   -6.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6217   -6.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6731   -5.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8277   -7.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6217   -5.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7298   -4.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3805   -4.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1391   -5.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8979   -4.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6566   -5.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4155   -4.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6566   -5.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2359   -5.7536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6217   -4.2978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2524   -9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7247   -7.3675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555   -8.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6731   -8.6008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5908   -9.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9229   -3.9439    0.0000 C   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  1  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
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  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  1  0  0  0  0
  9 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  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
  7 34  2  0     0  0
 24 35  1  1     0  0
M  END
> <LM_ID>
LMST01031396

> <COMMON_NAME>
7-Ketocampesterol

> <SYSTEMATIC_NAME>
3beta-hydroxycampest-5-en-7-one

> <FORMULA>
C28H46O2

> <MASS>
414.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7-Oxocampesterol

> <INCHI_KEY>
LTLKHSBYMNKWPF-KANLMKGOSA-N

> <INCHI>
InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-19,21-24,26,29H,7-15H2,1-6H3/t18-,19-,21+,22-,23+,24+,26+,27+,28-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101704474

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
109864

> <CITATION>
-

$$$$