LMPK12130072
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.6928    7.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6928    8.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9380    8.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9380    7.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153    7.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6563    7.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2518    8.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6563    8.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8524    6.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379    8.8730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7871    7.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8024    7.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2944    6.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2786    6.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7706    7.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2786    8.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2944    8.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7534    7.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153    6.0606    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  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130072

> <COMMON_NAME>
Maesopsin

> <SYSTEMATIC_NAME>
2,4,6-Trihydroxy-2-[(4-hydroxyphenyl)methyl]benzofuran-3(2H)-one

> <FORMULA>
C15H12O6

> <MASS>
288.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Zeyherin

> <INCHI_KEY>
LOFYFDPXORJJEE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2

> <SMILES>
C12C(=O)C(CC3C=CC(O)=CC=3)(O)OC=1C=C(O)C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0133540

> <CHEBI_ID>
181507

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
160803

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 106689

> <CITATION>
-

$$$$