LMST01010596
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    6.9040    7.4670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1213   12.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3493   12.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2354   11.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2354   10.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8340   11.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2567    9.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2611   11.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2611   10.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8333   10.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2286    9.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8051    7.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8051    9.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760    7.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4347    6.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5510   10.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6760    9.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5597    7.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3313   11.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4519    7.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4347   10.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5597    9.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3184    8.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4433    9.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3357    9.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2284   13.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0571   11.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8670   12.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7816   12.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5915   12.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8864   11.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7488   11.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1930    7.5496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
  4  3  1  6  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  9  8  1  1  0  0  0
 11 10  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9  7  1  0  0  0  0
  5  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 20 18  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  1  0  0  0
 22 17  1  0  0  0  0
 22 18  1  0  0  0  0
  9 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25  7  1  0  0  0  0
  2 26  1  6     0  0
 27  2  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 29 31  1  0     0  0
 29 32  1  0     0  0
 23 33  2  0     0  0
M  END
> <LM_ID>
LMST01010596

> <COMMON_NAME>
Superecdysone F

> <SYSTEMATIC_NAME>
(20S,22R)-3beta,6,22,25-tetrahydroxycholest-5,8,14-trien-7-one

> <FORMULA>
C27H40O5

> <MASS>
444.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,20-dideoxy-25-hydroxycalonysterone

> <INCHI_KEY>
CGMFZNJRACGYTJ-TURODPQISA-N

> <INCHI>
InChI=1S/C27H40O5/c1-15(21(29)10-11-25(2,3)32)17-6-7-18-22-19(9-13-26(17,18)4)27(5)12-8-16(28)14-20(27)23(30)24(22)31/h7,15-17,21,28-30,32H,6,8-14H2,1-5H3/t15-,16-,17+,21+,26+,27+/m0/s1

> <SMILES>
O[C@@H]1CC2[C@@](C3=C(C4[C@](CC3)([C@@](CC=4)([H])[C@@H]([C@@H](CCC(O)(C)C)O)C)C)C(=O)C=2O)(CC1)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:4;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117803

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
288950

> <CITATION>
37178942

$$$$