LMPK12140627
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.8808    9.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8808    8.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7009    7.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208    8.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208    9.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7009    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3409    7.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1610    8.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1610    9.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3409    9.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9810    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8168    9.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6527    9.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6527   10.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8168   10.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9810   10.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3409    6.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4728   10.9482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8168   11.9043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0934   12.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7009    6.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7540    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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  0  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
 14 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 24  1  0  0  0  0
 15 22  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140627

> <COMMON_NAME>
Agestricin D

> <SYSTEMATIC_NAME>
6,4'-Dihydroxy-5,7,3'-trimethoxyflavanone

> <FORMULA>
C18H18O7

> <MASS>
346.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CRZFXGCWJNFUCY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)17(21)18(16)24-3/h4-6,8,12,19,21H,7H2,1-3H3

> <SMILES>
C1(OC)=CC2OC(C3C=C(OC)C(O)=CC=3)CC(=O)C=2C(OC)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196387

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21721836

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2653732

> <CITATION>
-

$$$$