LMST01160090
  LIPID_MAPS_STRUCTURE_DATABASE

 39 45  0     0  0            999 V2000
    4.6893  -10.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893  -11.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5807  -11.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4708  -11.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4708  -10.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5807   -9.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625  -11.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2521  -11.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2521  -10.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -9.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -9.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -8.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2521   -8.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625   -8.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1142   -9.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7139   -9.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5807   -8.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5807  -12.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4708   -9.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1142   -7.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625  -10.4899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2944   -9.4955    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1142   -8.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1296   -8.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403  -10.3953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -7.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4703  -12.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9578   -6.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8488   -5.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5558   -6.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1019   -7.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989   -5.3427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5649   -4.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4310   -5.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5649   -3.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6898   -4.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3969   -5.6015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5218   -6.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9578   -6.3086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  1  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  1  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 10 21  1  6     0  0
  9 22  1  1     0  0
 12 23  1  0  0  0  0
 16 23  1  0  0  0  0
 23 20  1  0  0  0  0
 23 24  1  6     0  0
 11 25  1  6     0  0
 12 26  1  1     0  0
  4 27  1  1     0  0
  7 27  1  1     0  0
 20 28  1  0     0  0
 28 29  1  1     0  0
 30 31  1  0     0  0
 30 29  1  1     0  0
 28 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 33 35  2  0     0  0
 34 30  1  0     0  0
 34 36  1  1     0  0
 34 37  1  6     0  0
 30 38  1  1     0  0
 20 31  1  0     0  0
 28 39  1  1     0  0
M  END
> <LM_ID>
LMST01160090

> <COMMON_NAME>
Anomanolide A

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H38O7

> <MASS>
486.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FKQUQCYOBZEPTK-RPRGQBGFSA-N

> <INCHI>
InChI=1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17?,18+,20-,21+,23+,24-,25-,26-,27-,28+/m0/s1

> <SMILES>
C1C(=O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C5C[C@@]6(C)[C@](O)(C)C(=O)O[C@]5([H])C6)CC[C@@]4([H])[C@]3([H])C[C@H]3O[C@@]23[C@@H](O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:6;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44423099

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
180580

> <CITATION>
17417907

$$$$