LMST01010539
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.5127    9.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463    8.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463    7.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5127    7.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3789    7.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106    7.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0769    7.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0769    8.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106    9.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3789    8.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106   10.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0769   10.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9085   10.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9085    9.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6065    9.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6065   10.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7748   10.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9085   11.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3789    9.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7748   11.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9085   12.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6412   12.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4727   11.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3389   12.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1706   11.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1706   10.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0368   12.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106    8.3459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6065   11.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106    6.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7802    7.3756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7748   12.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0109   11.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3540    7.1401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1538    8.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 28  1  6  0  0  0
 11  9  1  0  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 29  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  5 34  1  6  0  0  0
 22 20  1  0  0  0  0
 20 21  1  6  0  0  0
 32 20  1  0  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
 27 25  1  0  0  0  0
 26 25  1  0  0  0  0
 33 25  1  0  0  0  0
  3  2  1  0  0  0  0
  3 31  1  1  0  0  0
  6 30  2  0  0  0  0
 14 35  1  6     0  0
M  END
> <LM_ID>
LMST01010539

> <COMMON_NAME>
2,22-dideoxy-20-hydroxyecdysone

> <SYSTEMATIC_NAME>
3beta,14alpha,20,25-tetrahydroxy-5alpha-cholest-7-en-6-one

> <FORMULA>
C27H44O5

> <MASS>
448.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NGORFCHZENUGIY-DNCQGNQYSA-N

> <INCHI>
InChI=1S/C27H44O5/c1-23(2,30)10-6-11-26(5,31)22-9-14-27(32)19-16-21(29)20-15-17(28)7-12-24(20,3)18(19)8-13-25(22,27)4/h16-18,20,22,28,30-32H,6-15H2,1-5H3/t17-,18-,20+,22-,24+,25+,26-,27+/m0/s1

> <SMILES>
C1C[C@H](O)C[C@]2([H])C(=O)C=C3[C@@](CC[C@]4([C@@]3(O)CC[C@]4([H])[C@](O)(C)CCCC(O)(C)C)C)([H])[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
154085174

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7091

> <CITATION>
-

$$$$