LMPK12050315
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    8.7591    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7591    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148    9.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3262    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1816    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1816    9.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3259    9.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0373    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0373    6.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9520    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8669    6.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8669    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9520    8.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3262    6.6572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148    6.6572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7226    6.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9035    9.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9037    7.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148   10.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0485    9.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0485    8.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5547    9.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   11.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   12.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6148   12.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3262   12.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1817    6.0948    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
 12 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050315

> <COMMON_NAME>
Auriculatin

> <SYSTEMATIC_NAME>
7-(2,4-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>


> <INCHI_KEY>
IEKQCBVQJGWJRO-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178567

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5358847

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53625

> <CITATION>
-

$$$$