LMST01031092
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    9.0864    7.0066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0818    8.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3769    7.4145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8019    8.2449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7988    7.4219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2235    7.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2263    8.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5155    8.6563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0840    7.8136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7757    9.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5067    9.4565    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2154    9.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5166   10.2636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9096    9.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3010    9.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9979    9.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7979    6.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3010    8.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6690    7.0066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3769    5.7805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0864    6.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2620    6.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654    5.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2175    8.9672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8796    9.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3769    6.6022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6067    9.8539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6067   10.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3696    8.2367    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6620    8.6452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654    7.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9964    8.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6690    7.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2620    7.0066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6690    6.1884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    7.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6690    5.3713    0.0000 O   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 29  1  0  0  0  0
 29  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 27  1  0  0  0  0
 27 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 36  1  0  0  0  0
 36 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 19 31  1  0  0  0  0
 31 35  1  0  0  0  0
 35 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 36  1  0  0  0  0
 19 34  1  1  0  0  0
  8 24  1  6  0  0  0
 11 25  1  6  0  0  0
  3 26  1  6  0  0  0
 27 28  1  6  0  0  0
 29 30  1  6  0  0  0
 31 32  2  0  0  0  0
 20 33  1  1  0  0  0
 35 37  1  1  0  0  0
 36 38  1  6  0  0  0
M  END
> <LM_ID>
LMST01031092

> <COMMON_NAME>
Stoloniferone F

> <SYSTEMATIC_NAME>
2beta,5alpha,6beta,11alpha-tetrahydroxyergost-3-en-1-one

> <FORMULA>
C28H46O5

> <MASS>
462.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MCEHIUSRVOSOFI-PPEGKMTJSA-N

> <INCHI>
InChI=1S/C28H46O5/c1-15(2)16(3)7-8-17(4)19-9-10-20-18-13-23(31)28(33)12-11-21(29)25(32)27(28,6)24(18)22(30)14-26(19,20)5/h11-12,15-24,29-31,33H,7-10,13-14H2,1-6H3/t16-,17+,18-,19+,20-,21+,22+,23+,24+,26+,27-,28-/m0/s1

> <SMILES>
[C@]12(C[C@@H](O)[C@@]3(O)C=C[C@@H](O)C(=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>
169799

> <ABBREVIATION>
ST 28:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11081071

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
153213

> <CITATION>
12444673

$$$$