LMPK12050247
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    8.7592   10.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7592    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148    8.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4704    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4704   10.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148   10.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3259    8.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1816    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1816   10.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3260   10.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0372    8.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0372    7.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9521    7.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8669    7.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8669    8.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9521    9.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3259    7.6452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148    7.6452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7224    7.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9036   10.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9038    8.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148   11.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0486   10.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0486    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5546   10.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4704   12.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4704   13.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148   13.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3260   13.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9521    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 20  1  1  0  0  0  0
  2 21  1  0  0  0  0
  6 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050247

> <COMMON_NAME>
Auriculasin

> <SYSTEMATIC_NAME>
7-(3,4-Dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one

> <FORMULA>
C25H24O6

> <MASS>
420.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Cudraisoflavone A

> <INCHI_KEY>
PSEBCAMYGWGJMH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O6/c1-13(2)5-7-16-23-15(9-10-25(3,4)31-23)21(28)20-22(29)17(12-30-24(16)20)14-6-8-18(26)19(27)11-14/h5-6,8-12,26-28H,7H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C(C3C=CC(O)=C(O)C=3)=COC=1C=2C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178564

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5358846

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53625

> <CITATION>
-

$$$$