LMPK12050105
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2261    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2261    6.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8978    6.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5694    6.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5694    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8978    7.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    6.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9128    6.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9128    7.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2411    7.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5845    6.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5845    5.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0208    5.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0208    6.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026    6.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2410    5.4682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6925    5.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7382    5.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050105

> <COMMON_NAME>
Alfalone

> <SYSTEMATIC_NAME>
6-Hydroxy-7,4'-dimethoxyisoflavone

> <FORMULA>
C17H14O5

> <MASS>
298.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CQULNEWSZBPFNL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-9,18H,1-2H3

> <SMILES>
C1(OC)C(O)=CC2C(=O)C(C3=CC=C(OC)C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038811

> <CHEBI_ID>
174838

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12132870

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$