LMST01010422
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.4530    9.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5928    8.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5928    7.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3131    7.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1390    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9992    7.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9992    8.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1390    9.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3131    8.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1390   10.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9992   10.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   10.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250    9.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5109    9.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5109   10.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6851   10.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   11.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3131    9.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6851   11.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250   12.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5454   12.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3712   11.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2313   12.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0571   11.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0571   10.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9173   12.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1390    8.2873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5109   11.2809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1390    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8250    8.2873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6851   12.7605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5454   13.2421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0915   12.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3131    6.8423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2762   10.7888    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
 14 33  1  6  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 37  1  1  0  0  0
 30  6  2  0  0  0  0
 22 20  1  0  0  0  0
 20 21  1  6  0  0  0
 34 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
 22 35  1  6  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
 36 25  1  0  0  0  0
  3  2  1  0  0  0  0
  2 31  1  1  0  0  0
  3 32  1  1  0  0  0
 11 38  1  6     0  0
M  END
> <LM_ID>
LMST01010422

> <COMMON_NAME>
Turkesterone

> <SYSTEMATIC_NAME>
2beta,3beta,11alpha,14alpha,20,22R,25-heptahydroxy-5beta-cholest-7-en-6-one

> <FORMULA>
C27H44O8

> <MASS>
496.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11,20-dihydroxyecdysone

> <INCHI_KEY>
WSBAGDDNVWTLOM-XHZKDPLLSA-N

> <INCHI>
InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@@]([C@H](O)C[C@]4([C@@]3(O)CC[C@]4([H])[C@](O)(C)[C@H](O)CCC(O)(C)C)C)([H])[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
191170

> <ABBREVIATION>
ST 27:2;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14376672

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
38595

> <CITATION>
25953625

$$$$