LMPK12140710
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
   10.1830  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3170  -10.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3170   -9.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1830   -9.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0490   -9.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0490  -10.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4509  -11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5849  -10.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5849   -9.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4509   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1830  -12.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9151   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7189   -9.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4509  -12.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4509   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3169   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5849   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3169   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1829   -6.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4508   -6.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7188   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8528   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8528   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7188   -6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5848   -6.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9151   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7812   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6471   -8.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6471   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7812   -9.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10  3  2  0     0  0
  1 11  2  0     0  0
  5 12  1  1     0  0
  9 13  1  0     0  0
  7 14  1  0     0  0
 10 15  1  0     0  0
 15 16  1  0     0  0
 15 17  1  6     0  0
 16 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
 17 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 17  2  0     0  0
 12 26  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 28 29  2  0     0  0
 29 30  1  0     0  0
 30 12  2  0     0  0
M  END
> <LM_ID>
LMPK12140710

> <COMMON_NAME>
(2R,7''S)-8-(1-phenyl-2-carboxyethyl)pinocembrin

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H20O6

> <MASS>
404.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XKRIQNHYKWYXNP-OXJNMPFZSA-N

> <INCHI>
InChI=1S/C24H20O6/c25-17-12-18(26)23-19(27)13-20(15-9-5-2-6-10-15)30-24(23)22(17)16(11-21(28)29)14-7-3-1-4-8-14/h1-10,12,16,20,25-26H,11,13H2,(H,28,29)/t16-,20+/m0/s1

> <SMILES>
C1(=O)C[C@H](C2=CC=CC=C2)OC2=C([C@H](C3=CC=CC=C3)CC(=O)O)C(O)=CC(O)=C12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118710

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
97724

> <CITATION>
33138655

$$$$