LMPK12130073
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    8.6946    8.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6946    9.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8166    9.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9386    9.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9386    8.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8166    7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6588    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2547    8.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6588    9.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.7068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8552    7.1404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413    9.4798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7904    7.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8064    7.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2988    6.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2836    6.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7761    7.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2836    8.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2988    8.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7597    7.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7754    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8166    6.6653    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
 16 21  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130073

> <COMMON_NAME>
Alphitonin

> <SYSTEMATIC_NAME>
2-[(3,4-Dihydroxyphenyl)methyl]-2,4,6-trihydroxy-3(2H)-benzofuranone

> <FORMULA>
C15H12O7

> <MASS>
304.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VCLACNNZBMRRES-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H12O7/c16-8-4-11(19)13-12(5-8)22-15(21,14(13)20)6-7-1-2-9(17)10(18)3-7/h1-5,16-19,21H,6H2

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0133543

> <CHEBI_ID>
69013

> <ABBREVIATION>
-

> <CAYMAN_ID>
29716

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12305769

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 106658

> <CITATION>
-

$$$$