LMPK12140214
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    7.5946    8.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5946    7.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    7.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3195    7.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3195    8.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    9.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818    7.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0442    7.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0442    8.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818    9.0476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9061    9.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7924    8.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6790    9.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6790   10.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7924   10.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9061   10.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0442    9.7226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818    6.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
  9 17  1  1  0  0  0
  1 18  1  0  0  0  0
  7 19  2  0  0  0  0
  3 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140214

> <COMMON_NAME>
Pinocembrin

> <SYSTEMATIC_NAME>
(S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one

> <FORMULA>
C15H12O4

> <MASS>
256.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
URFCJEUYXNAHFI-ZDUSSCGKSA-N

> <INCHI>
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1

> <SMILES>
C1(O)C=C2O[C@]([H])(C3C=CC=CC=3)CC(=O)C2=C(O)C=1

> <KEGG_ID>
C09827

> <HMDB_ID>
HMDB0141337

> <CHEBI_ID>
28157

> <ABBREVIATION>
-

> <CAYMAN_ID>
29852

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
68071

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3337

> <CITATION>
-

$$$$