LMPK12100080
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.7326    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    8.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   10.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647   11.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986   10.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967   11.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967   12.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   12.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647   12.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    8.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    9.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    6.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    6.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    9.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    8.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   13.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628   12.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986   12.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0986    6.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0986    6.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 13 27  1  1  0  0  0
 12 28  1  1  0  0  0
 10 29  1  0  0  0  0
 14 30  2  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100080

> <COMMON_NAME>
Isochapelieric acid methyl ester

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H28O6

> <MASS>
436.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RAHPEWVPJAMHRZ-DYNVDGSKSA-N

> <INCHI>
InChI=1S/C26H28O6/c1-14-15(2)31-25-20(18(13-19(27)30-5)16-9-7-6-8-10-16)24-17(11-12-26(3,4)32-24)23(29)21(25)22(14)28/h6-12,14-15,18,29H,13H2,1-5H3/t14-,15+,18?/m0/s1

> <SMILES>
C1C2C(O)=C3C(=O)[C@@H](C)[C@@H](C)OC3=C(C(CC(=O)OC)C3C=CC=CC=3)C=2OC(C)(C)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185729

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257562

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 73121

> <CITATION>
-

$$$$