LMST01031064
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0  0  0  0  0  0  0  0999 V2000
    7.0444    7.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2504    7.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2504    6.5191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0444    6.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8381    6.5191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6316    6.0608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4255    6.5191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4255    7.4354    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6316    7.8937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8381    7.4354    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6316    8.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4255    9.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2189    8.8101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2189    7.8937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8064    7.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8064    8.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0126    9.2684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2189    9.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8381    8.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0126   10.0016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2663   10.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6476   10.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2825   10.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9174   10.3682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5523   10.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1876   10.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5523    9.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4255    8.2145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2189    7.1826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5266    9.5652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0126   10.7834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6316    7.1977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9174   11.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8381    5.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6316    5.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1215    6.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6905    5.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2211    6.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6642    5.0000    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 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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 28  1  1  0  0  0
 14 29  1  6  0  0  0
 17 30  1  6  0  0  0
 20 31  1  1  0  0  0
  9 32  1  6  0  0  0
 24 33  1  6  0  0  0
  3 34  1  1  0  0  0
  5 35  1  6  0  0  0
  6 36  1  1  0  0  0
  7 37  1  1  0  0  0
 37 38  1  0  0  0  0
 38 40  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <LM_ID>
LMST01031064

> <COMMON_NAME>
Xeniasterol-a

> <SYSTEMATIC_NAME>
7beta-acetoxy-ergostan-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>
YNXOJQVJQLDURD-FCAZEUEMSA-N

> <INCHI>
InChI=1S/C30H52O5/c1-17(2)18(3)8-9-19(4)22-10-11-23-25-24(13-14-28(22,23)6)29(7)15-12-21(32)16-30(29,34)27(33)26(25)35-20(5)31/h17-19,21-27,32-34H,8-16H2,1-7H3/t18-,19+,21-,22+,23-,24-,25-,26+,27+,28+,29+,30-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166796

> <ABBREVIATION>
ST 30:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21636157

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
86540

> <CITATION>
-

$$$$