LMPK12110909
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0  0  0  0  0  0  0  0999 V2000
    9.3307    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967   10.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608   11.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948   12.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287   11.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    7.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5268   12.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    7.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5268   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948   13.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5268   13.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3929   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2589   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1249   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2589    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608    7.8606    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
 18 14  1  0  0  0  0
  4 19  1  0  0  0  0
  6 20  1  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 12 23  1  0  0  0  0
 18 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110909

> <COMMON_NAME>
Heteroartonin A

> <SYSTEMATIC_NAME>
2-[2,5-Dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C26H28O7

> <MASS>
452.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ONBLHZQNAGITBB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H28O7/c1-13(2)6-8-16-23(30)18(12-20(29)26(16)32-5)25-17(9-7-14(3)4)24(31)22-19(28)10-15(27)11-21(22)33-25/h6-7,10-12,27-30H,8-9H2,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0041323

> <CHEBI_ID>
169804

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15231526

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3489

> <CITATION>
-

$$$$