LMST01160011
  LIPID_MAPS_STRUCTURE_DATABASE

 40 45  0     0  0            999 V2000
    9.6470    7.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6415    9.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7428    9.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7519    8.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5498    9.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5462    8.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3435    8.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3472    9.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4502    9.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470    8.4945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5498   10.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4391   10.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3333   11.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4391   11.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5462    7.3783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8589    7.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8589    6.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7519    6.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470    6.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9712    8.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0837    7.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0837    6.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9712    6.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8589    8.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0883   10.0805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6479   11.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7519    7.3409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9712    9.1468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2189    9.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8598    5.5676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9678    5.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1957   10.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1092   11.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7784   10.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2784    9.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3405   12.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2132    8.6865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7107    8.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7729   10.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3171   12.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
  1 10  1  1     0  0
  5 11  1  1     0  0
  9 12  1  0     0  0
 12 13  1  0     0  0
 12 14  1  1     0  0
  6 15  1  6     0  0
  4 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19  1  1  0     0  0
 16 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 17  1  0     0  0
 16 24  1  1     0  0
  9 25  1  6     0  0
 12 26  1  6     0  0
  4 27  1  6     0  0
 20 28  2  0     0  0
 17 30  1  1     0  0
 18 30  1  1     0  0
 23 31  1  1     0  0
 13 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 29  1  0     0  0
 13 36  1  6     0  0
  8 37  1  1     0  0
 35 38  2  0     0  0
 34 39  1  1     0  0
 33 40  1  6     0  0
 32 29  1  1     0  0
M  END
> <LM_ID>
LMST01160011

> <COMMON_NAME>
Ixocarpalactone A

> <SYSTEMATIC_NAME>
(1S,2R,6S,7R,9R,11S,12S,14S,15R,16S)-15-[(1R,2R)-1-[(2R,3R,4R)-3,4-Dimethyl-5-oxooxolan-2-yl]-1,2-dihydroxypropan-2-yl]-6,14-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one

> <FORMULA>
C28H40O8

> <MASS>
504.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034393

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101316966

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01160011

$$$$