LMPK12110926
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.4247    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4247    7.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7099    7.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9949    7.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9949    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7099    6.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1397    6.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8546    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8546    7.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1397    7.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5696    7.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2844    7.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9994    7.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9994    8.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2844    8.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5696    8.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1397    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7143    8.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7099    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2800    7.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651    7.3113    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5651    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2800    6.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2844    6.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8514    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1376    7.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4239    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    7.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7113    6.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651    8.1355    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  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 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
 14 18  1  0  0  0  0
 19  6  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23  5  1  0  0  0  0
 12 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 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
 21 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110926

> <COMMON_NAME>
Australone A

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O6

> <MASS>
420.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YLMPUSYATCNAJD-UHFFFAOYSA-N

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

> <SMILES>
C12C(=O)C=C(C3C=CC(O)=CC=3O)OC=1C=C1OC(C)(CC/C=C(\C)/C)C=CC1=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178579

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10669800

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$