LMST01031093
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    7.8201    7.0963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8156    8.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1117    7.5035    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5345    8.3327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5315    7.5109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9540    7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9568    8.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2470    8.7437    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8178    7.9021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5084    9.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    9.5427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9459    9.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2481   10.3484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6391    9.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0283    9.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7242    9.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306    6.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0283    8.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4048    7.0963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1117    5.8721    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8201    6.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7023    5.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9480    9.0539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6121    9.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1117    6.6925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3352    9.9394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3352   10.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1043    8.3245    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3979    8.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7023    7.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7023    8.1632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4048    6.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1772    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4048    7.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  4  2  1  0  0  0  0
  2 30  1  0  0  0  0
 30  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  5  6  1  0  0  0  0
  1  9  1  1  0  0  0
  4 10  1  1  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 28  1  0  0  0  0
 28 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5 17  1  6  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
 19 34  1  0  0  0  0
 34 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 19 32  1  0  0  0  0
 32 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 34  2  0  0  0  0
 19 36  1  1  0  0  0
  8 25  1  6  0  0  0
 11 26  1  6  0  0  0
  3 27  1  6  0  0  0
 28 29  1  6  0  0  0
 30 31  1  6  0  0  0
 32 33  2  0  0  0  0
 20 35  1  1  0  0  0
M  END
> <LM_ID>
LMST01031093

> <COMMON_NAME>
Stoloniferone E

> <SYSTEMATIC_NAME>
6beta,11alpha-dihydroxy-ergost-2,4-dien-1-one

> <FORMULA>
C28H44O3

> <MASS>
428.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RYMHLKHGLSCOPD-BONNHHEPSA-N

> <INCHI>
InChI=1S/C28H44O3/c1-16(2)17(3)10-11-18(4)20-12-13-21-19-14-23(29)22-8-7-9-25(31)28(22,6)26(19)24(30)15-27(20,21)5/h7-9,16-21,23-24,26,29-30H,10-15H2,1-6H3/t17-,18+,19-,20+,21-,23+,24+,26+,27+,28+/m0/s1

> <SMILES>
[C@]12(C[C@@H](O)C3=CC=CC(=O)[C@]3(C)[C@@]1([H])[C@H](O)C[C@]1(C)[C@@]([H])([C@@](C)([H])CC[C@H](C)C(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169319

> <ABBREVIATION>
ST 28:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11122837

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
153213

> <CITATION>
12444673

$$$$