LMPK12100025
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.0498   10.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9280   11.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8058   10.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8058    9.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7163    9.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6267    9.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6267   10.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7162   11.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0501    9.6530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9280    9.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7163    8.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8435    6.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7163    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5893    6.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5893    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5045   11.1735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9280   12.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0498   12.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1716   11.1735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1716   12.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1724    9.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1724    8.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0501    7.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6649   13.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1580   12.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0501    6.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9280    8.4284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5087    8.0932    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20  1  1  0  0  0  0
 19 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 21 20  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 22 29  2  0  0  0  0
 10 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100025

> <COMMON_NAME>
Apetalolide

> <SYSTEMATIC_NAME>
5-Methoxy-8,8-dimethyl-6-(2-methyl-1-oxo-2-butenyl)-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one

> <FORMULA>
C26H24O5

> <MASS>
416.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IGOQXOXLHZFPHW-GIDUJCDVSA-N

> <INCHI>
InChI=1S/C26H24O5/c1-6-15(2)22(28)21-24-17(12-13-26(3,4)31-24)23-20(25(21)29-5)18(14-19(27)30-23)16-10-8-7-9-11-16/h6-14H,1-5H3/b15-6+

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(=O)C=C(C3C=CC=CC=3)C=1C(OC)=C2C(=O)/C(/C)=C/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11047986

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 73121

> <CITATION>
-

$$$$