LMST01120046
  LIPID_MAPS_STRUCTURE_DATABASE

 44 50  0     0  0            999 V2000
   14.6791   -9.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5572  -10.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5572  -11.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6791  -11.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8008  -11.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8008  -10.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4356   -9.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3138  -10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3138  -11.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4356  -11.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4355   -8.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3137   -8.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1919   -8.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1919   -9.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0701   -8.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9485   -8.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9486   -9.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0701   -7.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1919  -10.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5333   -9.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1796   -7.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5449  -12.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4370  -10.5566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2500   -6.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5631   -5.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5771   -5.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8905   -6.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1732   -4.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3138   -9.3213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9225  -11.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0442  -11.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0442  -10.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9225   -9.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1658  -11.8396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875  -11.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875  -10.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1658   -9.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6502   -8.8247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8260  -12.0919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4108  -11.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1911   -8.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8383   -9.5628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0442   -9.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0442  -12.0413    0.0000 H   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  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
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 15 18  1  1     0  0
 14 19  1  1     0  0
  2 20  1  1     0  0
 13 21  1  1     0  0
  3 22  1  6     0  0
  7 23  1  6     0  0
 18 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 18  2  0     0  0
 26 28  2  0     0  0
 14 17  1  0     0  0
  8 29  1  1     0  0
  5 30  1  1     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33  6  1  0     0  0
 31 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 32  1  0     0  0
 20 38  2  0     0  0
  5 39  1  6     0  0
 35 40  1  6     0  0
 37 41  1  6     0  0
  6 42  1  1     0  0
 32 43  1  1     0  0
 31 44  1  1     0  0
M  END
> <LM_ID>
LMST01120046

> <COMMON_NAME>
Calotropin

> <SYSTEMATIC_NAME>


> <FORMULA>
C29H40O9

> <MASS>
532.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cardanolides and derivatives [ST0112]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Pecilocerin A

> <KEGG_ID>
C08855

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
3329

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16142

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01120046

$$$$