LMPK12110926
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
   13.8482    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8482    8.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9817    9.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1151    8.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1151    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9817    7.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7148    7.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5814    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5814    8.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7148    9.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4480    9.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3145    8.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1811    9.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1811   10.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3145   10.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4480   10.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7148    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0477   10.8635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9817    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2485    9.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3820    8.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3820    7.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2485    7.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3145    7.8633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5169    9.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6517    8.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7866    9.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    8.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    7.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3820    9.8612    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>
2H,(-)-8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-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>
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; 66392

> <CITATION>
9358644

$$$$