LMPK12110726
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
   11.2568    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    8.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    8.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    7.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    8.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    9.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7209    8.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5870    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5870   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7209   10.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548   10.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4529   10.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4529    8.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    6.3606    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
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110726

> <COMMON_NAME>
Gancaonin O

> <SYSTEMATIC_NAME>
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AFJYQKPCJLMHCC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-10(2)3-5-12-14(22)8-18-19(20(12)25)16(24)9-17(26-18)11-4-6-13(21)15(23)7-11/h3-4,6-9,21-23,25H,5H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038397

> <CHEBI_ID>
175547

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14604081

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74613

> <CITATION>
-

$$$$