LMST01031124
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.5387    7.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7541    6.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7541    5.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5387    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8923    5.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8923    6.6062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1077    7.0591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3232    6.6062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1077    7.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8923    8.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6766    7.9650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6766    7.0591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2457    7.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2457    7.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4612    8.4181    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6766    8.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3232    7.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4612    9.1427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7235    9.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3441    9.5050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9715    9.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5993    9.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9715    8.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9694    8.7113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4612    9.9154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.3765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3427   10.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8923    7.3763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0906    6.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6766    6.3562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0887    9.5050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0887   10.2736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3232    5.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7163    9.1427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7163    8.3399    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
 34  4  2  0  0  0  0
 34  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 19  1  0  0  0  0
 19 32  1  0  0  0  0
 32 35  1  0  0  0  0
 35 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9  1  1  0  0  0  0
 34  9  1  0  0  0  0
  9  8  1  0  0  0  0
  7 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  1  0  0  0
  9 18  1  1  0  0  0
 19 20  1  0  0  0  0
 16 25  1  6  0  0  0
 19 26  1  1  0  0  0
  3 27  2  0  0  0  0
 21 28  1  1  0  0  0
  7 29  1  1  0  0  0
  8 30  1  6  0  0  0
 13 31  1  6  0  0  0
 32 33  1  1  0  0  0
 35 36  1  1  0  0  0
M  END
> <LM_ID>
LMST01031124

> <COMMON_NAME>
6-deoxo-3-dehydroteasterone

> <SYSTEMATIC_NAME>
3-oxo-campest-4-en-22R,23R-diol

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
22R,23R-dihydroxy-campest-4-en-3-one

> <INCHI_KEY>
PCLHVGYGQYOJEF-YPODHHRNSA-N

> <INCHI>
InChI=1S/C28H46O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h15-18,21-26,30-31H,7-14H2,1-6H3/t17-,18-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
80402

> <ABBREVIATION>
ST 28:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931381

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3702

> <CITATION>
19818976

$$$$