LMST01010107
  LIPID_MAPS_STRUCTURE_DATABASE

 43 46  0  0  0  0  0  0  0  0999 V2000
    9.7717    7.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7820    8.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0717    7.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1716    7.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7648    6.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4853    8.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    8.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7785    9.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3751    7.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0717    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1819    8.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4819    9.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3820    8.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6682    7.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3682    6.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3682    5.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8888    8.7682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1819    9.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7785    9.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4784   10.3957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6820    8.7993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6648    6.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9682    7.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8888    9.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1819   10.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9682    5.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2613    7.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5853    9.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2613    6.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3648    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5544    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2888    9.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2853    8.7751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9888    9.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9888    9.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2819    7.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9819    7.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5716    7.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0648    7.9889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1957    9.1889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6613    8.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  1  0  0  0
 10 16  1  0  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
 12 19  1  6  0  0  0
 12 20  1  1  0  0  0
 13 21  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 34  2  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
  6 11  1  0  0  0  0
  9 13  1  0  0  0  0
 16 22  2  0  0  0  0
 27 29  1  0  0  0  0
  3 41  1  1  0  0  0
  6 42  1  6  0  0  0
 14 43  1  6  0  0  0
M  END
> <LM_ID>
LMST01010107

> <COMMON_NAME>
Cucurbitacin E

> <SYSTEMATIC_NAME>


> <FORMULA>
C32H44O8

> <MASS>
556.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NDYMQXYDSVBNLL-MUYMLXPFSA-N

> <INCHI>
InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1

> <SMILES>
[C@@]12(C)C[C@H]([C@]([H])([C@](O)(C)C(=O)/C=C/C(C)(C)OC(=O)C)[C@@]1(C)CC([C@@]1(C)[C@]3([H])C=C(C(=O)C(C)(C)C3=CC[C@@]21[H])O)=O)O

> <KEGG_ID>
C08797

> <HMDB_ID>
-

> <CHEBI_ID>
3944

> <ABBREVIATION>
ST 32:7;O8

> <CAYMAN_ID>
14821

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281319

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$