LMST04010463
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    5.4800   -7.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3603   -8.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3603   -9.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4800   -9.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6005   -9.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6005   -8.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2398   -7.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1196   -8.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1196   -9.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2398   -9.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2397   -6.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1195   -6.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9991   -6.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9991   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7589   -6.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7590   -7.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1829   -7.3790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2777   -8.3112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0118   -8.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4901   -5.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8794   -5.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1254   -4.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7496   -4.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6348   -5.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5049   -4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3900   -5.0114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3737   -6.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4900   -3.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3738   -5.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5079   -4.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2399   -4.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4050   -6.0113    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  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  2  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  1  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
 15 16  1  0     0  0
 14 16  1  0     0  0
 13 17  1  0     0  0
 17 15  1  0     0  0
  2 18  1  1     0  0
 13 19  1  1     0  0
  5 20  2  0     0  0
  8 21  1  1     0  0
  7 22  1  6     0  0
 14 23  1  6     0  0
 17 24  1  6     0  0
 17 25  1  0     0  0
 25 26  1  6     0  0
 25 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 11 31  1  6     0  0
 29 32  2  0     0  0
 31 33  1  0     0  0
 33 34  2  0     0  0
 33 35  1  0     0  0
 30 36  1  0     0  0
M  END
> <LM_ID>
LMST04010463

> <COMMON_NAME>
Dendronesterone D

> <SYSTEMATIC_NAME>
methyl 3-oxo,11alpha-acetoxy-chola-1,4,22E-triene-24-oate

> <FORMULA>
C27H36O5

> <MASS>
440.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120025

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04010463

$$$$