LMPK12110925
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.8808   10.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8808    9.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7394    8.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5981    9.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5981   10.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7394   10.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4569    8.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3156    9.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3156   10.1369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4569   10.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4569    7.8766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1742   10.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0494   10.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9244   10.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9244   11.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0494   12.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1742   11.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7394    7.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7394   11.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8808   12.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0221   11.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0221   10.6327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4118   12.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7831   12.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7831   10.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3156   12.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2599    8.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2432    7.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1077    7.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0910    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9889    7.5582    0.0000 C   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
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 15  1  0  0  0  0
 14 26  1  0  0  0  0
 17 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  8 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110925

> <COMMON_NAME>
Artonin E

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

> <FORMULA>
C25H24O7

> <MASS>
436.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
KB 3

> <INCHI_KEY>
HDHRTQZSBFUBMJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(C3C(O)=CC(O)=C(O)C=3)=C(C/C=C(\C)/C)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0035186

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5481962

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 194251

> <CITATION>
-

$$$$