LMST01010637
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0  0  0  0  0  0  0  0999 V2000
   11.5827   -7.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5952   -6.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7349   -7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2781   -7.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5701   -8.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4512   -6.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7516   -5.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5868   -5.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8830   -7.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7349   -8.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2904   -6.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4470   -5.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8914   -6.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0311   -7.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8747   -8.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8747   -9.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1425   -6.0043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2864   -4.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5868   -4.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4387   -4.0332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0479   -5.9666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0269   -8.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -7.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1425   -5.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2822   -3.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1792   -9.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3274   -7.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9901   -4.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3274   -8.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6824  -10.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6636  -10.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4755   -7.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8379   -5.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4797   -9.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6896   -4.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6896   -5.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8295   -5.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7265   -6.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3155   -5.4948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0269   -6.9313    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  2  0  0  0  0
 28 33  1  0  0  0  0
 29 34  1  1  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>
LMST01010637

> <COMMON_NAME>
3-epi-Isocucurbitacin 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>
ALPSEMFPAVSKJO-WCGKEEAASA-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/h9,11-12,17,19-20,23-24,32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,24+,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])CC([C@H](O)C(C)(C)C3=CC[C@@]21[H])=O)=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:5;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
57384018

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
51475

> <CITATION>
-

$$$$