LMPK12140686
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.7166    9.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7166    8.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214    7.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261    8.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261    9.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214    9.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4309    7.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3357    8.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3357    9.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4309    9.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2962    9.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2010    9.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1057    9.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1057   10.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2010   11.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2962   10.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4309    6.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214    6.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8794    9.7601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9030   11.3363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7711    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9110    7.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1369    8.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214   10.7195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7797   11.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5610   10.9564    0.0000 C   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  6  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140686

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(2S)-5,6,7,8,4'-Pentamethoxyflavanone

> <FORMULA>
C20H22O7

> <MASS>
374.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KEBPSQKPIAKRAT-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C20H22O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-9,14H,10H2,1-5H3/t14-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10992374

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 408488

> <CITATION>
11605671

$$$$