LMPK12140215
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0  0  0  0            999 V2000
    9.6382   -5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6382   -6.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4889   -7.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3394   -6.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3394   -5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4889   -5.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1899   -7.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0406   -6.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0406   -5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1899   -5.2714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8911   -5.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7582   -5.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6251   -5.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6251   -4.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7582   -3.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8911   -4.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1899   -8.2178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7877   -5.2714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4889   -8.2178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5813   -8.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0     0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  9 11  1  6     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  2  0     0  0
  1 18  1  0     0  0
  3 19  1  0     0  0
M  END
> <LM_ID>
LMPK12140215

> <COMMON_NAME>
Alpinetin

> <SYSTEMATIC_NAME>
(2S)-7-Hydroxy-5-methoxyflavanone

> <FORMULA>
C16H14O4

> <MASS>
270.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QQQCWVDPMPFUGF-ZDUSSCGKSA-N

> <INCHI>
InChI=1S/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3/t13-/m0/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=CC=CC=3)CC(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
229049

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
154279

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 94326

> <CITATION>
5692492

$$$$