LMPK12130048
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.5740    8.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740    8.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4152    7.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4152    9.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2564    8.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2564    8.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0975    9.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9407    8.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9399    8.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6268    7.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7819    9.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6235    8.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6235    8.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4648    7.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3059    8.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3056    8.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4644    9.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1472    7.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4648    6.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4152    6.5463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4152   10.4318    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  5  2  0  0  0  0
  6  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  2  0  0  0  0
 11 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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130048

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6,3',4'-Trihydroxy-4-methoxy-7-methylaurone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PTOZSWMIAUAQJP-MKMNVTDBSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-8-11(19)7-13(22-2)15-16(21)14(23-17(8)15)6-9-3-4-10(18)12(20)5-9/h3-7,18-20H,1-2H3/b14-6+

> <SMILES>
C1(O)C(C)=C2O/C(=C/C3C=CC(O)=C(O)C=3)/C(=O)C2=C(OC)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607778

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 529428

> <CITATION>
-

$$$$