LMST01010505
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    7.3411   -3.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2150   -3.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2150   -4.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411   -5.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4672   -4.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4672   -3.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0889   -3.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9628   -3.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9628   -4.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0889   -5.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0888   -2.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9627   -1.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8367   -2.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8367   -3.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7105   -1.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5845   -2.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5846   -3.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7105   -0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5844   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8366   -0.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4583   -0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3321   -0.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2061   -0.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0800   -0.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2061   -1.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3029   -2.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8367   -1.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3223   -1.3897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8619   -4.0615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0889   -3.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0003   -3.0059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5934   -5.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0721   -1.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4838   -2.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5710   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7093   -1.9308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7793   -1.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7452   -1.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5028   -2.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  2  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
 18 20  1  6     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
  2 26  1  1     0  0
 13 27  1  1     0  0
 15 28  1  6     0  0
 14 29  1  6     0  0
  7 30  1  6     0  0
  8 31  1  1     0  0
  5 32  1  1     0  0
 23 33  1  0     0  0
 26 34  1  0     0  0
 34 35  1  0     0  0
 26 36  2  0     0  0
 33 37  1  0     0  0
 37 38  2  0     0  0
 37 39  1  0     0  0
M  END
> <LM_ID>
LMST01010505

> <COMMON_NAME>
25-acetate-nebrosteroid K

> <SYSTEMATIC_NAME>
Methyl 25-acetoxy-3beta-hydroxy-cholest-5-en-19-oate

> <FORMULA>
C30H48O5

> <MASS>
488.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AMEZHYRXDPLSII-ZUSMDPLKSA-N

> <INCHI>
InChI=1S/C30H48O5/c1-19(8-7-15-28(3,4)35-20(2)31)24-11-12-25-23-10-9-21-18-22(32)13-17-30(21,27(33)34-6)26(23)14-16-29(24,25)5/h9,19,22-26,32H,7-8,10-18H2,1-6H3/t19-,22+,23+,24-,25+,26+,29-,30-/m1/s1

> <SMILES>
C1C[C@H](O)CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(OC(C)=O)(C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163107186

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
668409

> <CITATION>
35031429

$$$$