LMPK12140218
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.5941    6.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3111    5.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0283    6.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0283    6.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3111    7.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5941    6.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7455    5.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4627    6.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4627    6.9635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7455    7.3775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792    7.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7455    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9148    6.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6505    7.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6505    8.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9148    8.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1792    8.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8769    7.3775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3111    5.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399    6.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1451    5.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    6.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    7.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1451    7.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399    7.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7270    5.8441    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7270    5.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2638    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
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  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 11  1  0  0  0  0
 18  6  1  0  0  0  0
  2 19  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 18 23  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140218

> <COMMON_NAME>
Pinocembrin 7-[4-(1-hydroxyethyl)phenyl] ether

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H20O5

> <MASS>
376.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YCOTUQMQORMKOG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H20O5/c1-14(24)15-7-9-17(10-8-15)27-18-11-19(25)23-20(26)13-21(28-22(23)12-18)16-5-3-2-4-6-16/h2-12,14,21,24-25H,13H2,1H3

> <SMILES>
C1C(OC2C=CC(C(O)C)=CC=2)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168897

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607886

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$