LMPK12120513
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.6926    7.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6926    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3857    5.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0787    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0787    7.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3857    7.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714    5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4640    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1567    5.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8493    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5229    5.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1964    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1964    6.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5229    7.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8493    6.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714    5.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3857    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714    7.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6653    6.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  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
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120513

> <COMMON_NAME>
Dihydroflavokawin B

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JAJFQMZJIQDRSX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,8-9H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0132908

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
270058

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$