LMST01010342
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.2549    6.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9556    5.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0574    5.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0574    6.4405    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3568    6.8449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6561    6.4405    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3568    7.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    7.6539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7582    6.8449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1592    6.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1592    7.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4586    8.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    8.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6561    7.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0574    7.1282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3414    6.1644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    6.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8599    8.0585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4586    8.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7152    9.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4786   10.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8624    9.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3467   10.5460    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4155   10.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9608   10.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2549    5.6315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6561    5.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9255    9.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3568    5.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0574    8.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9556    6.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4540    9.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8585    8.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 32  1  1  0  0  0  0
  1 26  1  0  0  0  0
 26  2  1  0  0  0  0
  2 27  1  0  0  0  0
 27 29  2  0  0  0  0
 29  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7 30  1  0  0  0  0
 30  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 12  1  0  0  0  0
 32  6  1  0  0  0  0
 27  6  1  0  0  0  0
  5  6  1  0  0  0  0
  4  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  1  0  0  0
  6 14  1  1  0  0  0
  4 15  1  1  0  0  0
  5 16  1  6  0  0  0
  9 17  1  6  0  0  0
 11 18  2  0  0  0  0
 12 19  2  0  0  0  0
 19 20  1  0  0  0  0
 33 28  1  0  0  0  0
 28 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
 19 33  1  0  0  0  0
 23 25  1  0  0  0  0
 26 31  1  1  0  0  0
 23 22  1  1  0  0  0
 33 34  2  0  0  0  0
M  END
> <LM_ID>
LMST01010342

> <COMMON_NAME>
17(20)-Dehydrocryptogenin 

> <SYSTEMATIC_NAME>
16,22-dioxo-25S-methyl-cholest-5,17(20)Z-dien-3beta-ol

> <FORMULA>
C27H40O4

> <MASS>
428.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LHUOFJIUXKOLAO-YKXPSBIHSA-N

> <INCHI>
InChI=1S/C27H40O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16,19-22,28-29H,5,7-15H2,1-4H3/b25-17+/t16-,19+,20-,21+,22+,26+,27+/m1/s1

> <SMILES>
C1[C@H](O)CC2[C@@](C)([C@@]3([H])CC[C@]4(C)/C(=C(/C(=O)CC[C@@H](C)CO)\C)/C(=O)C[C@@]4([H])[C@]3([H])CC=2)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188194

> <ABBREVIATION>
ST 27:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931346

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
49670

> <CITATION>
-

$$$$