LMST01031059
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0     0  0            999 V2000
    8.4989    9.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5579    8.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5579    7.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4989    6.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4404    7.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813    6.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3227    7.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3227    8.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813    9.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4404    8.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813   10.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3227   10.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2635   10.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2635    9.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1461    9.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1461   10.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2049   10.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2635   10.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4404    9.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2049   11.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3198   11.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9578   11.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7108   11.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4637   11.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9695   11.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2166   10.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3227    9.4401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2635    8.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8144   11.0417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2049   12.4863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813    8.2343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.9530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4404    6.6041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4637   12.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2166   11.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0987    9.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1577    9.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1577   11.0160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2166    9.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 36  1  0  0  0  0
 36 25  1  0  0  0  0
 36 26  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
  8 27  1  1  0  0  0
 14 28  1  6  0  0  0
 17 29  1  6  0  0  0
 20 30  1  1  0  0  0
  9 31  1  6  0  0  0
  3 32  1  1  0  0  0
  5 33  1  6  0  0  0
  6 34  1  1  0  0  0
 24 35  1  6  0  0  0
 36 39  1  0  0  0  0
 39 38  1  0  0  0  0
 38 37  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
> <LM_ID>
LMST01031059

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
25-acetoxy-ergosta-3beta,5alpha,6beta-triol

> <FORMULA>
C30H52O5

> <MASS>
492.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NTYRSMDNACWFJE-GCYJJEFRSA-N

> <INCHI>
InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)23-10-11-24-22-16-26(33)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19+,21+,22+,23-,24+,25+,26-,28-,29-,30+/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H](C)C(OC(=O)C)(C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)[C@@]2(O)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183537

> <ABBREVIATION>
ST 30:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14034721

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
205096

> <CITATION>
-

$$$$