LMST01010551
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    8.4646    9.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    8.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625   10.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966   10.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4674    9.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5985    8.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    9.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5985    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    7.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3305    8.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3305    9.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3305    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    9.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    8.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286    9.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286   10.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286   11.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797   10.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7457   11.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0137   12.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797   11.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6117   11.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4776   12.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2097   12.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3437   11.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3437   10.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7457   12.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286    8.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2097   11.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    6.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  9 11  1  0  0  0  0
 11  2  1  0  0  0  0
  2 15  2  0  0  0  0
 17 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3  4  2  0  0  0  0
 19  4  1  0  0  0  0
 17  4  1  0  0  0  0
  6 17  1  0  0  0  0
  5  6  1  0  0  0  0
 20  5  1  0  0  0  0
 22 20  1  0  0  0  0
 20 19  1  0  0  0  0
 19  7  1  0  0  0  0
 22  8  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  6  0  0  0
 11 12  1  6  0  0  0
 13 14  1  1  0  0  0
 17 18  1  6  0  0  0
 20 21  1  1  0  0  0
 22 25  1  0  0  0  0
 22 23  1  6  0  0  0
 25 24  1  6  0  0  0
 25 31  1  0  0  0  0
 31 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  0  0  0  0
 19 32  1  1     0  0
 29 33  1  0     0  0
 16 34  2  0     0  0
M  END
> <LM_ID>
LMST01010551

> <COMMON_NAME>
Hyousterone D

> <SYSTEMATIC_NAME>
2alpha,3alpha,9alpha,14beta,25-pentahydroxy-cholest-4,7-dien-6-one

> <FORMULA>
C27H42O6

> <MASS>
462.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FTLSNJYQNPACDY-BBAZIBAGSA-N

> <INCHI>
InChI=1S/C27H42O6/c1-16(7-6-9-23(2,3)31)17-8-10-26(32)22-14-19(28)18-13-20(29)21(30)15-25(18,5)27(22,33)12-11-24(17,26)4/h13-14,16-17,20-21,29-33H,6-12,15H2,1-5H3/t16-,17-,20+,21-,24-,25+,26+,27-/m1/s1

> <SMILES>
C1[C@@]2(C)C(C(=O)C=C3[C@]2(O)CC[C@@]2(C)[C@]3(O)CC[C@]2([H])[C@@H](CCCC(O)(C)C)C)=C[C@H](O)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24763070

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
562745

> <CITATION>
18039009

$$$$