LMPK12111610
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.3782    7.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3782    8.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    9.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6145    8.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6145    7.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    7.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2601    7.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1420    7.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1418    8.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2601    9.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0237    9.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9054    8.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7874    9.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7874   10.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9054   10.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0236   10.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2601    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0238    7.0791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6691   10.6433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9054   11.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1867   11.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963   10.0530    0.0000 O   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
  4 18  1  0  0  0  0
  8 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111610

> <COMMON_NAME>
3'-O-Methylmelanoxetin

> <SYSTEMATIC_NAME>
3,7,8-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LATGNVTUYQHKQK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-11-6-7(2-4-9(11)17)15-14(21)12(19)8-3-5-10(18)13(20)16(8)23-15/h2-6,17-18,20-21H,1H3

> <SMILES>
C12C(=O)C(O)=C(C3C=C(OC)C(O)=CC=3)OC=1C(O)=C(O)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258706

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3808

> <CITATION>
-

$$$$