LMPK12140632
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.7099    9.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7099    8.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6111    7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5124    8.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5124    9.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6111    9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4135    7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3145    8.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3145    9.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4135    9.7853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2713    9.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1724    9.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0736    9.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0736   10.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1724   11.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2713   10.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4135    6.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6111    6.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8762    9.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8675   11.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8516    9.3682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5959    9.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7644    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9078    7.7613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1366    8.2064    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
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140632

> <COMMON_NAME>
Agecorynin E

> <SYSTEMATIC_NAME>
4-Hydroxy-5,6,7,3'-tetramethoxyflavanone

> <FORMULA>
C19H20O7

> <MASS>
360.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RTHZXRUUOCCNTA-ZDUSSCGKSA-N

> <INCHI>
InChI=1S/C19H20O7/c1-22-14-7-10(5-6-11(14)20)13-8-12(21)17-15(26-13)9-16(23-2)18(24-3)19(17)25-4/h5-7,9,13,20H,8H2,1-4H3/t13-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608103

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2653732

> <CITATION>
-

$$$$