LMPK12120603
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.7008    7.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    6.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4034    5.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061    6.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061    7.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4034    7.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8068    5.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5076    6.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2083    5.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9091    6.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5919    5.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2748    6.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2748    7.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5919    7.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9091    7.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8068    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9756    7.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5919    5.0104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2083    7.4069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2083    8.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120603

> <COMMON_NAME>
Loureirin D

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H16O5

> <MASS>
288.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AQMBVNGTZRFEPF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H16O5/c1-21-16-9-12(18)8-15(20)13(16)6-7-14(19)10-2-4-11(17)5-3-10/h2-5,8-9,17-18,20H,6-7H2,1H3

> <SMILES>
C1(O)C=CC(C(=O)CCC2C(OC)=CC(O)=CC=2O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13939318

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$