LMST01010106
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0  0  0  0  0  0  0  0999 V2000
    9.7678    7.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7781    8.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0684    7.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1665    7.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7574    6.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4843    8.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0822    8.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7712    9.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3656    7.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0684    6.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    8.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4809    9.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3725    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6628    7.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3587    6.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3587    5.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8796    8.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1734    9.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7712    9.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4740   10.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6766    8.7891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6593    6.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9600    7.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8796    9.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1699   10.7872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9600    5.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2572    7.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5789    9.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2572    6.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5501    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3596    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2783    9.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5579    5.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9810    9.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9810    9.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2714    8.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0615    7.9794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1974    9.1783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6593    7.9932    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  1  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  1  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
  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 38  1  1  0  0  0
  6 39  1  6  0  0  0
 14 40  1  6  0  0  0
M  END
> <LM_ID>
LMST01010106

> <COMMON_NAME>
Cucurbitacin D

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H44O7

> <MASS>
516.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SRPHMISUTWFFKJ-QJNWWGCFSA-N

> <INCHI>
InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1

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

> <KEGG_ID>
C08796

> <HMDB_ID>
-

> <CHEBI_ID>
3943

> <ABBREVIATION>
ST 30:5;O7

> <CAYMAN_ID>
36172

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281318

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$