LMPK12050316
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    8.7183    9.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    8.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5611    7.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4037    8.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4037    9.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5611    9.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2464    7.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0890    8.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0890    9.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2464    9.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9316    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9316    6.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8327    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7336    6.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7336    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8327    8.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2464    6.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5611    6.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8760    7.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8760    9.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5611   10.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4036   11.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4036   11.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2463   12.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5611   12.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0335    9.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0335    8.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0890    6.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5470    9.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5763    6.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8882    6.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  1  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
  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 19  2  0  0  0  0
 12 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050316

> <COMMON_NAME>
Auriculin

> <SYSTEMATIC_NAME>
5-Hydroxy-3-(2-hydroxy-4-methoxyphenyl)-8,8-dimethyl-10-(3-methyl-2-butenyl)-4H,8H-benzo[1,2-b:5,4-b']dipyran-4-one

> <FORMULA>
C26H26O6

> <MASS>
434.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Auriculatin 4'-methyl ether

> <INCHI_KEY>
VQGWUEFARIAFPF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H26O6/c1-14(2)6-8-18-24-17(10-11-26(3,4)32-24)22(28)21-23(29)19(13-31-25(18)21)16-9-7-15(30-5)12-20(16)27/h6-7,9-13,27-28H,8H2,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491651

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53625

> <CITATION>
-

$$$$